2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine

C18H32N8O — CID 89270725

IUPAC2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine
SMILESC=C(C(NCCCn1ccnc1)[C@@H]1CCC=CO1)N(CCN(C)C)/N=N\N
InChIInChI=1S/C18H32N8O/c1-16(26(23-22-19)13-12-24(2)3)18(17-7-4-5-14-27-17)21-8-6-10-25-11-9-20-15-25/h5,9,11,14-15,17-18,21H,1,4,6-8,10,12-13H2,2-3H3,(H2,19,23)/t17-,18?/m0/s1
InChIKeyXIRITUAXEZNEGO-ZENAZSQFSA-N
MW376.51 g/mol
LogP1.54
Rot. Bonds12

About 2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine

2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine (PubChem CID 89270725) has the molecular formula C18H32N8O and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine
PubChem CID89270725
Molecular FormulaC18H32N8O
Molecular Weight376.51 g/mol
Exact Mass376.27
IUPAC Name2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine
SMILESC=C(C(NCCCn1ccnc1)[C@@H]1CCC=CO1)N(CCN(C)C)/N=N\N
InChIInChI=1S/C18H32N8O/c1-16(26(23-22-19)13-12-24(2)3)18(17-7-4-5-14-27-17)21-8-6-10-25-11-9-20-15-25/h5,9,11,14-15,17-18,21H,1,4,6-8,10,12-13H2,2-3H3,(H2,19,23)/t17-,18?/m0/s1
InChIKeyXIRITUAXEZNEGO-ZENAZSQFSA-N
XLogP1.54
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine with MolForge

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Related Compounds

methyl 2-[[(Z)-aminodiazenyl]-[3-[(2S)-3,4-dihydro-2H-pyran-2-yl]-3-(3-imidazol-1-ylpropylamino)prop-1-en-2-yl]amino]acetate
CID 89270717
1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine
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N-(1-cyclopropylethyl)-3-imidazol-1-ylpropan-1-amine
CID 43126800
N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine
CID 28993992
N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide
CID 77032766
2-N-(3-imidazol-1-ylpropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54960832
N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
CID 115704905
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine
CID 75435415
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541242
methyl 2-(3-imidazol-1-ylpropylamino)-3-methylbutanoate
CID 54961185

Frequently Asked Questions

What is the IUPAC name of 2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine?
The IUPAC name of 2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine (CID 89270725) is 2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine.
What is the SMILES notation for 2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine?
The canonical SMILES for 2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine is C=C(C(NCCCn1ccnc1)[C@@H]1CCC=CO1)N(CCN(C)C)/N=N\N.
What is the InChIKey of 2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine?
The InChIKey is XIRITUAXEZNEGO-ZENAZSQFSA-N. The full InChI is InChI=1S/C18H32N8O/c1-16(26(23-22-19)13-12-24(2)3)18(17-7-4-5-14-27-17)21-8-6-10-25-11-9-20-15-25/h5,9,11,14-15,17-18,21H,1,4,6-8,10,12-13H2,2-3H3,(H2,19,23)/t17-,18?/m0/s1.
What are the key properties of 2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine?
2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine has a molecular weight of 376.51 g/mol, XLogP of 1.54, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine is sourced from PubChem (CID 89270725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).