hexatriacontane-18,19-diamine

C36H76N2 — CID 57054547

IUPAChexatriacontane-18,19-diamine
SMILESCCCCCCCCCCCCCCCCCC(N)C(N)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H76N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34,37-38H2,1-2H3
InChIKeyWSMOWGCEIOANKT-UHFFFAOYSA-N
MW537.02 g/mol
LogP12.16
Rot. Bonds33

About hexatriacontane-18,19-diamine

hexatriacontane-18,19-diamine (PubChem CID 57054547) has the molecular formula C36H76N2 and a molecular weight of 537.02 g/mol. Its IUPAC name is hexatriacontane-18,19-diamine.

Molecular Properties

Compound Namehexatriacontane-18,19-diamine
PubChem CID57054547
Molecular FormulaC36H76N2
Molecular Weight537.02 g/mol
Exact Mass536.60
IUPAC Namehexatriacontane-18,19-diamine
SMILESCCCCCCCCCCCCCCCCCC(N)C(N)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H76N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34,37-38H2,1-2H3
InChIKeyWSMOWGCEIOANKT-UHFFFAOYSA-N
XLogP12.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.02
LogP ≤ 512.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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nonane-1,3,4-triamine
CID 140867802
(3R)-2-methylundecan-3-amine
CID 167260316
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
1,1-difluorodecan-2-amine
CID 103516493
3-aminoicosan-2-ol
CID 19964089
4-methyltetradecan-5-amine
CID 115831509
3-methyldecan-4-amine
CID 63719252
2-aminopentadecane-1,1-diol;hydrochloride
CID 173417689

Frequently Asked Questions

What is the IUPAC name of hexatriacontane-18,19-diamine?
The IUPAC name of hexatriacontane-18,19-diamine (CID 57054547) is hexatriacontane-18,19-diamine.
What is the SMILES notation for hexatriacontane-18,19-diamine?
The canonical SMILES for hexatriacontane-18,19-diamine is CCCCCCCCCCCCCCCCCC(N)C(N)CCCCCCCCCCCCCCCCC.
What is the InChIKey of hexatriacontane-18,19-diamine?
The InChIKey is WSMOWGCEIOANKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H76N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34,37-38H2,1-2H3.
What are the key properties of hexatriacontane-18,19-diamine?
hexatriacontane-18,19-diamine has a molecular weight of 537.02 g/mol, XLogP of 12.16, 33 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexatriacontane-18,19-diamine is sourced from PubChem (CID 57054547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).