N,4-dimethyldecan-2-amine

C12H27N — CID 64721855

IUPACN,4-dimethyldecan-2-amine
SMILESCCCCCCC(C)CC(C)NC
InChIInChI=1S/C12H27N/c1-5-6-7-8-9-11(2)10-12(3)13-4/h11-13H,5-10H2,1-4H3
InChIKeyNCNSYBFYAUPTQZ-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds8

About N,4-dimethyldecan-2-amine

N,4-dimethyldecan-2-amine (PubChem CID 64721855) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,4-dimethyldecan-2-amine.

Molecular Properties

Compound NameN,4-dimethyldecan-2-amine
PubChem CID64721855
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,4-dimethyldecan-2-amine
SMILESCCCCCCC(C)CC(C)NC
InChIInChI=1S/C12H27N/c1-5-6-7-8-9-11(2)10-12(3)13-4/h11-13H,5-10H2,1-4H3
InChIKeyNCNSYBFYAUPTQZ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.59
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

N-methyltetradecan-2-amine
CID 54073704
6,8-dimethylhexadecane
CID 91185725
2,24,26-trimethyldotetracontane
CID 91249721
4-methyl-N-propyldodecan-2-amine
CID 64721884
4-ethyl-N-methyltridecan-2-amine
CID 155048996
(4R,6S)-4,6-dimethyldodecane
CID 162976966
2,4-dimethyltetradecane
CID 53423723
(4S)-2,4-dimethylicosane
CID 134952934
15,19,21-trimethylheptatriacontane
CID 20837834
5,15,17-trimethylpentatriacontane
CID 172565406
cyclohexane;N,4-dimethylheptan-2-amine
CID 144521968
(6S)-6-methylnonadecane
CID 170848379

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyldecan-2-amine?
The IUPAC name of N,4-dimethyldecan-2-amine (CID 64721855) is N,4-dimethyldecan-2-amine.
What is the SMILES notation for N,4-dimethyldecan-2-amine?
The canonical SMILES for N,4-dimethyldecan-2-amine is CCCCCCC(C)CC(C)NC.
What is the InChIKey of N,4-dimethyldecan-2-amine?
The InChIKey is NCNSYBFYAUPTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-5-6-7-8-9-11(2)10-12(3)13-4/h11-13H,5-10H2,1-4H3.
What are the key properties of N,4-dimethyldecan-2-amine?
N,4-dimethyldecan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyldecan-2-amine is sourced from PubChem (CID 64721855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).