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

C19H31N7O — CID 89270637

IUPAC2-N-[(Z)-aminodiazenyl]-2-N-cyclopentyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine
SMILESC=C(C(NCCCn1ccnc1)[C@@H]1CCC=CO1)N(/N=N\N)C1CCCC1
InChIInChI=1S/C19H31N7O/c1-16(26(24-23-20)17-7-2-3-8-17)19(18-9-4-5-14-27-18)22-10-6-12-25-13-11-21-15-25/h5,11,13-15,17-19,22H,1-4,6-10,12H2,(H2,20,24)/t18-,19?/m0/s1
InChIKeyXTZUMGIPFHXNDT-OYKVQYDMSA-N
MW373.51 g/mol
LogP2.92
Rot. Bonds10

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

2-N-[(Z)-aminodiazenyl]-2-N-cyclopentyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine (PubChem CID 89270637) has the molecular formula C19H31N7O and a molecular weight of 373.51 g/mol. Its IUPAC name is 2-N-[(Z)-aminodiazenyl]-2-N-cyclopentyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(Z)-aminodiazenyl]-2-N-cyclopentyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine
PubChem CID89270637
Molecular FormulaC19H31N7O
Molecular Weight373.51 g/mol
Exact Mass373.26
IUPAC Name2-N-[(Z)-aminodiazenyl]-2-N-cyclopentyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine
SMILESC=C(C(NCCCn1ccnc1)[C@@H]1CCC=CO1)N(/N=N\N)C1CCCC1
InChIInChI=1S/C19H31N7O/c1-16(26(24-23-20)17-7-2-3-8-17)19(18-9-4-5-14-27-18)22-10-6-12-25-13-11-21-15-25/h5,11,13-15,17-19,22H,1-4,6-10,12H2,(H2,20,24)/t18-,19?/m0/s1
InChIKeyXTZUMGIPFHXNDT-OYKVQYDMSA-N
XLogP2.92
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(Z)-aminodiazenyl]-2-N-cyclopentyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine?
The IUPAC name of 2-N-[(Z)-aminodiazenyl]-2-N-cyclopentyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine (CID 89270637) is 2-N-[(Z)-aminodiazenyl]-2-N-cyclopentyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine.
What is the SMILES notation for 2-N-[(Z)-aminodiazenyl]-2-N-cyclopentyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine?
The canonical SMILES for 2-N-[(Z)-aminodiazenyl]-2-N-cyclopentyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine is C=C(C(NCCCn1ccnc1)[C@@H]1CCC=CO1)N(/N=N\N)C1CCCC1.
What is the InChIKey of 2-N-[(Z)-aminodiazenyl]-2-N-cyclopentyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine?
The InChIKey is XTZUMGIPFHXNDT-OYKVQYDMSA-N. The full InChI is InChI=1S/C19H31N7O/c1-16(26(24-23-20)17-7-2-3-8-17)19(18-9-4-5-14-27-18)22-10-6-12-25-13-11-21-15-25/h5,11,13-15,17-19,22H,1-4,6-10,12H2,(H2,20,24)/t18-,19?/m0/s1.
What are the key properties of 2-N-[(Z)-aminodiazenyl]-2-N-cyclopentyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine?
2-N-[(Z)-aminodiazenyl]-2-N-cyclopentyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine has a molecular weight of 373.51 g/mol, XLogP of 2.92, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(Z)-aminodiazenyl]-2-N-cyclopentyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine is sourced from PubChem (CID 89270637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).