nonadecane-1,13-diamine

C19H42N2 — CID 102135569

IUPACnonadecane-1,13-diamine
SMILESCCCCCCC(N)CCCCCCCCCCCCN
InChIInChI=1S/C19H42N2/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20/h19H,2-18,20-21H2,1H3
InChIKeyYRVPGJPJYUDDDG-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.53
Rot. Bonds17

About nonadecane-1,13-diamine

nonadecane-1,13-diamine (PubChem CID 102135569) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is nonadecane-1,13-diamine.

Molecular Properties

Compound Namenonadecane-1,13-diamine
PubChem CID102135569
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Namenonadecane-1,13-diamine
SMILESCCCCCCC(N)CCCCCCCCCCCCN
InChIInChI=1S/C19H42N2/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20/h19H,2-18,20-21H2,1H3
InChIKeyYRVPGJPJYUDDDG-UHFFFAOYSA-N
XLogP5.53
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
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

undecane-1,6-diamine
CID 18419788
octadecane-1,5-diamine
CID 154229011
dodecane-1,2-diamine;dodecane-1,12-diamine
CID 88743619
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
heptane-1,1-diamine;octane-1,8-diamine
CID 87723894
octadecan-9-amine;hydrochloride
CID 19002510
henicosane-8,14-diamine;dihydrochloride
CID 170909168
pentacosane-1,13,25-triamine
CID 174653759
dodecan-1-amine;dodecan-2-amine
CID 88815564
5-hexyldodecan-1-amine
CID 129015386
9,10-dioctylhenicosan-1-amine
CID 123803716

Frequently Asked Questions

What is the IUPAC name of nonadecane-1,13-diamine?
The IUPAC name of nonadecane-1,13-diamine (CID 102135569) is nonadecane-1,13-diamine.
What is the SMILES notation for nonadecane-1,13-diamine?
The canonical SMILES for nonadecane-1,13-diamine is CCCCCCC(N)CCCCCCCCCCCCN.
What is the InChIKey of nonadecane-1,13-diamine?
The InChIKey is YRVPGJPJYUDDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20/h19H,2-18,20-21H2,1H3.
What are the key properties of nonadecane-1,13-diamine?
nonadecane-1,13-diamine has a molecular weight of 298.56 g/mol, XLogP of 5.53, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecane-1,13-diamine is sourced from PubChem (CID 102135569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).