N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine

C12H27N — CID 90148563

IUPACN-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
SMILESCC(C)CCCN(C)CC(C)(C)C
InChIInChI=1S/C12H27N/c1-11(2)8-7-9-13(6)10-12(3,4)5/h11H,7-10H2,1-6H3
InChIKeyAYYNQWSQALMMCX-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.40
Rot. Bonds5

About N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine

N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine (PubChem CID 90148563) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
PubChem CID90148563
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
SMILESCC(C)CCCN(C)CC(C)(C)C
InChIInChI=1S/C12H27N/c1-11(2)8-7-9-13(6)10-12(3,4)5/h11H,7-10H2,1-6H3
InChIKeyAYYNQWSQALMMCX-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,2-trimethyl-N-[3-(5-methylhexoxy)propyl]propan-1-amine
CID 172516818
1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine
CID 115136225
N,2,2-trimethyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine
CID 161233073
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
N,4-dimethyl-N-(2-methyl-2-piperazin-1-ylpropyl)pentan-1-amine
CID 115255871
N-(2-chloroethyl)-N,4-dimethylpentan-1-amine
CID 83168960
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 103935088
N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine
CID 159238333
1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
CID 90943925
6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine
CID 62227650
2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid
CID 115221210

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine (CID 90148563) is N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine is CC(C)CCCN(C)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine?
The InChIKey is AYYNQWSQALMMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-11(2)8-7-9-13(6)10-12(3,4)5/h11H,7-10H2,1-6H3.
What are the key properties of N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine?
N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 90148563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).