(5S)-3,11-dimethyldodecan-5-amine

C14H31N — CID 174258758

IUPAC(5S)-3,11-dimethyldodecan-5-amine
SMILESCCC(C)C[C@@H](N)CCCCCC(C)C
InChIInChI=1S/C14H31N/c1-5-13(4)11-14(15)10-8-6-7-9-12(2)3/h12-14H,5-11,15H2,1-4H3/t13?,14-/m0/s1
InChIKeyFVBCGSRGMCVPLY-KZUDCZAMSA-N
MW213.41 g/mol
LogP4.36
Rot. Bonds9

About (5S)-3,11-dimethyldodecan-5-amine

(5S)-3,11-dimethyldodecan-5-amine (PubChem CID 174258758) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is (5S)-3,11-dimethyldodecan-5-amine.

Molecular Properties

Compound Name(5S)-3,11-dimethyldodecan-5-amine
PubChem CID174258758
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name(5S)-3,11-dimethyldodecan-5-amine
SMILESCCC(C)C[C@@H](N)CCCCCC(C)C
InChIInChI=1S/C14H31N/c1-5-13(4)11-14(15)10-8-6-7-9-12(2)3/h12-14H,5-11,15H2,1-4H3/t13?,14-/m0/s1
InChIKeyFVBCGSRGMCVPLY-KZUDCZAMSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.36
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

3-methyldodec-11-en-5-amine
CID 107011856
2,15,18-trimethylnonadecane-4,13-diamine
CID 56622666
2,34-dimethylpentatriacontan-18-amine
CID 141007495
2,11,23-trimethylpentacosane
CID 123728262
2,6,13-trimethylpentadecane
CID 123742386
(4R)-2-methyldecan-4-amine
CID 14572815
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
2,6,10,15,19-pentamethylhenicosane
CID 6428617
(4R)-2-methylnonan-4-amine;hydrochloride
CID 14572809
2-methyldecane;3-methylheptane;3-methylundecane
CID 91314766
17-methyloctadecane-1,1-diamine
CID 154316058

Frequently Asked Questions

What is the IUPAC name of (5S)-3,11-dimethyldodecan-5-amine?
The IUPAC name of (5S)-3,11-dimethyldodecan-5-amine (CID 174258758) is (5S)-3,11-dimethyldodecan-5-amine.
What is the SMILES notation for (5S)-3,11-dimethyldodecan-5-amine?
The canonical SMILES for (5S)-3,11-dimethyldodecan-5-amine is CCC(C)C[C@@H](N)CCCCCC(C)C.
What is the InChIKey of (5S)-3,11-dimethyldodecan-5-amine?
The InChIKey is FVBCGSRGMCVPLY-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H31N/c1-5-13(4)11-14(15)10-8-6-7-9-12(2)3/h12-14H,5-11,15H2,1-4H3/t13?,14-/m0/s1.
What are the key properties of (5S)-3,11-dimethyldodecan-5-amine?
(5S)-3,11-dimethyldodecan-5-amine has a molecular weight of 213.41 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,11-dimethyldodecan-5-amine is sourced from PubChem (CID 174258758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).