5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine

C12H27N — CID 55071072

IUPAC5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
SMILESCC(C)CNCCCCC(C)(C)C
InChIInChI=1S/C12H27N/c1-11(2)10-13-9-7-6-8-12(3,4)5/h11,13H,6-10H2,1-5H3
InChIKeyDYIVCMOVDPKSQV-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds6

About 5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine

5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 55071072) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID55071072
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
SMILESCC(C)CNCCCCC(C)(C)C
InChIInChI=1S/C12H27N/c1-11(2)10-13-9-7-6-8-12(3,4)5/h11,13H,6-10H2,1-5H3
InChIKeyDYIVCMOVDPKSQV-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.45
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

3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine
CID 81019110
2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine
CID 114210654
5,5-dimethyl-N-propan-2-ylhexan-1-amine
CID 59447580
3,3-dihydroxy-7-(2-methylpropylamino)heptanal
CID 87926306
3,3-dimethyl-N-(2-methylpropyl)octan-1-amine
CID 81033930
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
18,18-dimethyl-N-octadecylnonadecan-1-amine
CID 154404952
N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55209612
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
N-(12,12-dimethyltridecyl)hexadecan-1-amine;hydrobromide
CID 174728206
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
N-hexadecyl-18,18-dimethylnonadecan-1-amine;hydrochloride
CID 173196630

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine (CID 55071072) is 5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine is CC(C)CNCCCCC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is DYIVCMOVDPKSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-11(2)10-13-9-7-6-8-12(3,4)5/h11,13H,6-10H2,1-5H3.
What are the key properties of 5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine?
5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 55071072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).