N-butyl-N,4,4-trimethylpentan-1-amine

C12H27N — CID 58300817

IUPACN-butyl-N,4,4-trimethylpentan-1-amine
SMILESCCCCN(C)CCCC(C)(C)C
InChIInChI=1S/C12H27N/c1-6-7-10-13(5)11-8-9-12(2,3)4/h6-11H2,1-5H3
InChIKeyYJAGIPHEILSUDU-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds6

About N-butyl-N,4,4-trimethylpentan-1-amine

N-butyl-N,4,4-trimethylpentan-1-amine (PubChem CID 58300817) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-butyl-N,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound NameN-butyl-N,4,4-trimethylpentan-1-amine
PubChem CID58300817
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-butyl-N,4,4-trimethylpentan-1-amine
SMILESCCCCN(C)CCCC(C)(C)C
InChIInChI=1S/C12H27N/c1-6-7-10-13(5)11-8-9-12(2,3)4/h6-11H2,1-5H3
InChIKeyYJAGIPHEILSUDU-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-(4,4-dimethylpentyl)-1-N,3-dimethylpentane-1,3-diamine
CID 170052934
N-butyl-N-methylpentan-1-amine
CID 54060013
2,2-dimethylhexane
CID 169424592
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
azane;2,2-dimethylhexane
CID 161105081
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-methyl-N-nonylundecan-1-amine
CID 603442
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,4,4-trimethylpentan-1-amine?
The IUPAC name of N-butyl-N,4,4-trimethylpentan-1-amine (CID 58300817) is N-butyl-N,4,4-trimethylpentan-1-amine.
What is the SMILES notation for N-butyl-N,4,4-trimethylpentan-1-amine?
The canonical SMILES for N-butyl-N,4,4-trimethylpentan-1-amine is CCCCN(C)CCCC(C)(C)C.
What is the InChIKey of N-butyl-N,4,4-trimethylpentan-1-amine?
The InChIKey is YJAGIPHEILSUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-7-10-13(5)11-8-9-12(2,3)4/h6-11H2,1-5H3.
What are the key properties of N-butyl-N,4,4-trimethylpentan-1-amine?
N-butyl-N,4,4-trimethylpentan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 58300817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).