(2S)-2-hexyldecan-1-amine

C16H35N — CID 129368307

IUPAC(2S)-2-hexyldecan-1-amine
SMILESCCCCCCCC[C@@H](CN)CCCCCC
InChIInChI=1S/C16H35N/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15,17H2,1-2H3/t16-/m0/s1
InChIKeyHEGUXAZWCQVLPV-INIZCTEOSA-N
MW241.46 g/mol
LogP5.28
Rot. Bonds13

About (2S)-2-hexyldecan-1-amine

(2S)-2-hexyldecan-1-amine (PubChem CID 129368307) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is (2S)-2-hexyldecan-1-amine.

Molecular Properties

Compound Name(2S)-2-hexyldecan-1-amine
PubChem CID129368307
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name(2S)-2-hexyldecan-1-amine
SMILESCCCCCCCC[C@@H](CN)CCCCCC
InChIInChI=1S/C16H35N/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15,17H2,1-2H3/t16-/m0/s1
InChIKeyHEGUXAZWCQVLPV-INIZCTEOSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.28
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

2-dodecylhexadecan-1-amine
CID 23048605
2-hexyloctadecan-1-amine
CID 87546751
2-propylheptan-1-amine
CID 21267775
2-butylhexan-1-amine
CID 54041151
2-(fluoromethyl)henicosan-1-amine
CID 175054402
2-(2-methylpropyl)decan-1-amine
CID 63498111
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hexyldecan-1-amine?
The IUPAC name of (2S)-2-hexyldecan-1-amine (CID 129368307) is (2S)-2-hexyldecan-1-amine.
What is the SMILES notation for (2S)-2-hexyldecan-1-amine?
The canonical SMILES for (2S)-2-hexyldecan-1-amine is CCCCCCCC[C@@H](CN)CCCCCC.
What is the InChIKey of (2S)-2-hexyldecan-1-amine?
The InChIKey is HEGUXAZWCQVLPV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H35N/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15,17H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-hexyldecan-1-amine?
(2S)-2-hexyldecan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.28, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hexyldecan-1-amine is sourced from PubChem (CID 129368307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).