henicos-4-ene-2,3-diamine

C21H44N2 — CID 54561895

IUPAChenicos-4-ene-2,3-diamine
SMILESCCCCCCCCCCCCCCCCC=CC(N)C(C)N
InChIInChI=1S/C21H44N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20(2)22/h18-21H,3-17,22-23H2,1-2H3
InChIKeyZRDHGELDLWOGCH-UHFFFAOYSA-N
MW324.60 g/mol
LogP6.09
Rot. Bonds17

About henicos-4-ene-2,3-diamine

henicos-4-ene-2,3-diamine (PubChem CID 54561895) has the molecular formula C21H44N2 and a molecular weight of 324.60 g/mol. Its IUPAC name is henicos-4-ene-2,3-diamine.

Molecular Properties

Compound Namehenicos-4-ene-2,3-diamine
PubChem CID54561895
Molecular FormulaC21H44N2
Molecular Weight324.60 g/mol
Exact Mass324.35
IUPAC Namehenicos-4-ene-2,3-diamine
SMILESCCCCCCCCCCCCCCCCC=CC(N)C(C)N
InChIInChI=1S/C21H44N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20(2)22/h18-21H,3-17,22-23H2,1-2H3
InChIKeyZRDHGELDLWOGCH-UHFFFAOYSA-N
XLogP6.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptatriaconta-6,28-dien-19-amine
CID 123539967
undec-3-en-2-ol
CID 174515693
2-chlorodec-3-ene
CID 71337420
3-methyltetradec-4-ene
CID 123180851
(3E,5Z)-dodeca-3,5-dien-2-amine
CID 14864066
dodeca-3,5-dien-2-amine
CID 72740287
(Z)-2-methyloct-3-ene;octane
CID 159051061
(E)-dodec-4-en-2-amine
CID 55254669
(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034
5-methylpentadec-6-ene
CID 123440014
(E)-dec-1-en-1-amine
CID 21420709

Frequently Asked Questions

What is the IUPAC name of henicos-4-ene-2,3-diamine?
The IUPAC name of henicos-4-ene-2,3-diamine (CID 54561895) is henicos-4-ene-2,3-diamine.
What is the SMILES notation for henicos-4-ene-2,3-diamine?
The canonical SMILES for henicos-4-ene-2,3-diamine is CCCCCCCCCCCCCCCCC=CC(N)C(C)N.
What is the InChIKey of henicos-4-ene-2,3-diamine?
The InChIKey is ZRDHGELDLWOGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20(2)22/h18-21H,3-17,22-23H2,1-2H3.
What are the key properties of henicos-4-ene-2,3-diamine?
henicos-4-ene-2,3-diamine has a molecular weight of 324.60 g/mol, XLogP of 6.09, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for henicos-4-ene-2,3-diamine is sourced from PubChem (CID 54561895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).