N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine

C15H30N4 — CID 121451192

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine
SMILESCC(C)=CCC[C@@H](C)NCCCCNC1=NCCN1
InChIInChI=1S/C15H30N4/c1-13(2)7-6-8-14(3)16-9-4-5-10-17-15-18-11-12-19-15/h7,14,16H,4-6,8-12H2,1-3H3,(H2,17,18,19)/t14-/m1/s1
InChIKeyHIWDESYMAHRPAK-CQSZACIVSA-N
MW266.43 g/mol
LogP2.04
Rot. Bonds9

About N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine

N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine (PubChem CID 121451192) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine
PubChem CID121451192
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine
SMILESCC(C)=CCC[C@@H](C)NCCCCNC1=NCCN1
InChIInChI=1S/C15H30N4/c1-13(2)7-6-8-14(3)16-9-4-5-10-17-15-18-11-12-19-15/h7,14,16H,4-6,8-12H2,1-3H3,(H2,17,18,19)/t14-/m1/s1
InChIKeyHIWDESYMAHRPAK-CQSZACIVSA-N
XLogP2.04
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine (CID 121451192) is N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine is CC(C)=CCC[C@@H](C)NCCCCNC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine?
The InChIKey is HIWDESYMAHRPAK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H30N4/c1-13(2)7-6-8-14(3)16-9-4-5-10-17-15-18-11-12-19-15/h7,14,16H,4-6,8-12H2,1-3H3,(H2,17,18,19)/t14-/m1/s1.
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine?
N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.04, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine is sourced from PubChem (CID 121451192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).