nonadecane-2,14-diamine

C19H42N2 — CID 89095951

IUPACnonadecane-2,14-diamine
SMILESCCCCCC(N)CCCCCCCCCCCC(C)N
InChIInChI=1S/C19H42N2/c1-3-4-12-16-19(21)17-14-11-9-7-5-6-8-10-13-15-18(2)20/h18-19H,3-17,20-21H2,1-2H3
InChIKeyFCNKPJWYCZKOOB-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.53
Rot. Bonds16

About nonadecane-2,14-diamine

nonadecane-2,14-diamine (PubChem CID 89095951) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is nonadecane-2,14-diamine.

Molecular Properties

Compound Namenonadecane-2,14-diamine
PubChem CID89095951
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Namenonadecane-2,14-diamine
SMILESCCCCCC(N)CCCCCCCCCCCC(C)N
InChIInChI=1S/C19H42N2/c1-3-4-12-16-19(21)17-14-11-9-7-5-6-8-10-13-15-18(2)20/h18-19H,3-17,20-21H2,1-2H3
InChIKeyFCNKPJWYCZKOOB-UHFFFAOYSA-N
XLogP5.53
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 55.53
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

(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
tetradecan-2-amine;hydrobromide
CID 175070931
dodecan-2-amine;hydrochloride
CID 86195878
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
6-methylnonadecan-2-amine
CID 54497673
dodecan-1-amine;dodecan-2-amine
CID 88815564
(4R)-tridecan-4-amine
CID 150614684

Frequently Asked Questions

What is the IUPAC name of nonadecane-2,14-diamine?
The IUPAC name of nonadecane-2,14-diamine (CID 89095951) is nonadecane-2,14-diamine.
What is the SMILES notation for nonadecane-2,14-diamine?
The canonical SMILES for nonadecane-2,14-diamine is CCCCCC(N)CCCCCCCCCCCC(C)N.
What is the InChIKey of nonadecane-2,14-diamine?
The InChIKey is FCNKPJWYCZKOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-3-4-12-16-19(21)17-14-11-9-7-5-6-8-10-13-15-18(2)20/h18-19H,3-17,20-21H2,1-2H3.
What are the key properties of nonadecane-2,14-diamine?
nonadecane-2,14-diamine has a molecular weight of 298.56 g/mol, XLogP of 5.53, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecane-2,14-diamine is sourced from PubChem (CID 89095951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).