(2S)-1-N-propyldecane-1,2-diamine

C13H30N2 — CID 135223941

IUPAC(2S)-1-N-propyldecane-1,2-diamine
SMILESCCCCCCCC[C@H](N)CNCCC
InChIInChI=1S/C13H30N2/c1-3-5-6-7-8-9-10-13(14)12-15-11-4-2/h13,15H,3-12,14H2,1-2H3/t13-/m0/s1
InChIKeyACXSRBCTZAUPCG-ZDUSSCGKSA-N
MW214.40 g/mol
LogP3.06
Rot. Bonds11

About (2S)-1-N-propyldecane-1,2-diamine

(2S)-1-N-propyldecane-1,2-diamine (PubChem CID 135223941) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is (2S)-1-N-propyldecane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-propyldecane-1,2-diamine
PubChem CID135223941
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name(2S)-1-N-propyldecane-1,2-diamine
SMILESCCCCCCCC[C@H](N)CNCCC
InChIInChI=1S/C13H30N2/c1-3-5-6-7-8-9-10-13(14)12-15-11-4-2/h13,15H,3-12,14H2,1-2H3/t13-/m0/s1
InChIKeyACXSRBCTZAUPCG-ZDUSSCGKSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 53.06
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

2-(2-aminohexylamino)ethanol
CID 83960481
5-N-(2-aminohexyl)pentane-1,2,5-triamine
CID 88775596
5-methoxy-1-N-octylpentane-1,2-diamine
CID 113337399
N,2-dipropyloctan-1-amine
CID 63497286
1-(propylamino)hexadecan-2-ol
CID 88695975
1-N-(7-methyloctyl)pentane-1,2-diamine
CID 107815807
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
4-methoxy-1-N-propylbutane-1,2-diamine
CID 62477493
2-amino-3-(dodecylamino)propan-1-ol
CID 88670185
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-propyldecane-1,2-diamine?
The IUPAC name of (2S)-1-N-propyldecane-1,2-diamine (CID 135223941) is (2S)-1-N-propyldecane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-propyldecane-1,2-diamine?
The canonical SMILES for (2S)-1-N-propyldecane-1,2-diamine is CCCCCCCC[C@H](N)CNCCC.
What is the InChIKey of (2S)-1-N-propyldecane-1,2-diamine?
The InChIKey is ACXSRBCTZAUPCG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H30N2/c1-3-5-6-7-8-9-10-13(14)12-15-11-4-2/h13,15H,3-12,14H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-N-propyldecane-1,2-diamine?
(2S)-1-N-propyldecane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 3.06, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-propyldecane-1,2-diamine is sourced from PubChem (CID 135223941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).