1-N'-henicos-1-enylethane-1,1-diamine

C23H48N2 — CID 141374379

IUPAC1-N'-henicos-1-enylethane-1,1-diamine
SMILESCCCCCCCCCCCCCCCCCCCC=CNC(C)N
InChIInChI=1S/C23H48N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(2)24/h21-23,25H,3-20,24H2,1-2H3
InChIKeyCKWNSIJWZKNFTE-UHFFFAOYSA-N
MW352.65 g/mol
LogP7.44
Rot. Bonds20

About 1-N'-henicos-1-enylethane-1,1-diamine

1-N'-henicos-1-enylethane-1,1-diamine (PubChem CID 141374379) has the molecular formula C23H48N2 and a molecular weight of 352.65 g/mol. Its IUPAC name is 1-N'-henicos-1-enylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-henicos-1-enylethane-1,1-diamine
PubChem CID141374379
Molecular FormulaC23H48N2
Molecular Weight352.65 g/mol
Exact Mass352.38
IUPAC Name1-N'-henicos-1-enylethane-1,1-diamine
SMILESCCCCCCCCCCCCCCCCCCCC=CNC(C)N
InChIInChI=1S/C23H48N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(2)24/h21-23,25H,3-20,24H2,1-2H3
InChIKeyCKWNSIJWZKNFTE-UHFFFAOYSA-N
XLogP7.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N'-non-1-enylethane-1,1-diamine
CID 141374365
(2S)-2-(oct-1-enylamino)propanoic acid
CID 140766840
(3E,5Z)-dodeca-3,5-dien-2-amine
CID 14864066
dodeca-3,5-dien-2-amine
CID 72740287
(2S)-2-(hept-1-enylamino)propanoic acid
CID 142450013
(E)-dodec-4-en-2-amine
CID 55254669
1-(2-aminohydrazinyl)non-1-ene
CID 140631529
(22E)-heptatetraconta-22,24-diene
CID 56629131
(Z)-22-methyltricos-9-ene
CID 152752766
(E)-2-methylheptadec-7-ene
CID 173124832
2-methylhenicos-9-ene
CID 54211724
heptatriaconta-6,28-dien-19-amine
CID 123539967

Frequently Asked Questions

What is the IUPAC name of 1-N'-henicos-1-enylethane-1,1-diamine?
The IUPAC name of 1-N'-henicos-1-enylethane-1,1-diamine (CID 141374379) is 1-N'-henicos-1-enylethane-1,1-diamine.
What is the SMILES notation for 1-N'-henicos-1-enylethane-1,1-diamine?
The canonical SMILES for 1-N'-henicos-1-enylethane-1,1-diamine is CCCCCCCCCCCCCCCCCCCC=CNC(C)N.
What is the InChIKey of 1-N'-henicos-1-enylethane-1,1-diamine?
The InChIKey is CKWNSIJWZKNFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(2)24/h21-23,25H,3-20,24H2,1-2H3.
What are the key properties of 1-N'-henicos-1-enylethane-1,1-diamine?
1-N'-henicos-1-enylethane-1,1-diamine has a molecular weight of 352.65 g/mol, XLogP of 7.44, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-henicos-1-enylethane-1,1-diamine is sourced from PubChem (CID 141374379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).