(2S)-nonadecan-2-amine

C19H41N — CID 94864909

IUPAC(2S)-nonadecan-2-amine
SMILESCCCCCCCCCCCCCCCCC[C@H](C)N
InChIInChI=1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h19H,3-18,20H2,1-2H3/t19-/m0/s1
InChIKeyCRTBHHWJNLQHEB-IBGZPJMESA-N
MW283.54 g/mol
LogP6.60
Rot. Bonds16

About (2S)-nonadecan-2-amine

(2S)-nonadecan-2-amine (PubChem CID 94864909) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is (2S)-nonadecan-2-amine.

Molecular Properties

Compound Name(2S)-nonadecan-2-amine
PubChem CID94864909
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC Name(2S)-nonadecan-2-amine
SMILESCCCCCCCCCCCCCCCCC[C@H](C)N
InChIInChI=1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h19H,3-18,20H2,1-2H3/t19-/m0/s1
InChIKeyCRTBHHWJNLQHEB-IBGZPJMESA-N
XLogP6.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
tetradecan-2-amine;hydrobromide
CID 175070931
dodecan-2-amine;hydrochloride
CID 86195878
nonadecane-2,14-diamine
CID 89095951
dodecan-1-amine;dodecan-2-amine
CID 88815564
6-methylnonadecan-2-amine
CID 54497673
docosane-2,21-diamine
CID 150079956
9-methoxypentadecan-2-amine
CID 89335213
carbamic acid;undecan-2-amine
CID 175209089
propanoic acid;tetradecan-2-amine
CID 173174901
11,11-difluorooctadecan-2-amine
CID 150665400

Frequently Asked Questions

What is the IUPAC name of (2S)-nonadecan-2-amine?
The IUPAC name of (2S)-nonadecan-2-amine (CID 94864909) is (2S)-nonadecan-2-amine.
What is the SMILES notation for (2S)-nonadecan-2-amine?
The canonical SMILES for (2S)-nonadecan-2-amine is CCCCCCCCCCCCCCCCC[C@H](C)N.
What is the InChIKey of (2S)-nonadecan-2-amine?
The InChIKey is CRTBHHWJNLQHEB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h19H,3-18,20H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-nonadecan-2-amine?
(2S)-nonadecan-2-amine has a molecular weight of 283.54 g/mol, XLogP of 6.60, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-nonadecan-2-amine is sourced from PubChem (CID 94864909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).