N-tert-butyl-2-ethyl-3-methylhexan-1-amine

C13H29N — CID 107897145

IUPACN-tert-butyl-2-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)C(CC)CNC(C)(C)C
InChIInChI=1S/C13H29N/c1-7-9-11(3)12(8-2)10-14-13(4,5)6/h11-12,14H,7-10H2,1-6H3
InChIKeyAKAFLHVGVSDFFW-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds6

About N-tert-butyl-2-ethyl-3-methylhexan-1-amine

N-tert-butyl-2-ethyl-3-methylhexan-1-amine (PubChem CID 107897145) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-3-methylhexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-3-methylhexan-1-amine
PubChem CID107897145
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-tert-butyl-2-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)C(CC)CNC(C)(C)C
InChIInChI=1S/C13H29N/c1-7-9-11(3)12(8-2)10-14-13(4,5)6/h11-12,14H,7-10H2,1-6H3
InChIKeyAKAFLHVGVSDFFW-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-2-ethyl-3-methylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-3-methyl-2-propylhexan-1-amine
CID 107897126
1-(tert-butylamino)-3-methylhexan-2-ol
CID 62774337
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
5-ethyl-2,2,6-trimethylnonane
CID 57492048
1-(tert-butylamino)-3-ethylpentan-2-ol
CID 62775304
1-N-tert-butyl-3-N,2-dimethyl-3-N-pentan-2-ylbutane-1,3-diamine
CID 79409030
4,5-diethyloctane
CID 519254
N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine
CID 107887241
1-N,2-N-ditert-butylbutane-1,2-diamine
CID 58903016
N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine
CID 62530526
2-pentan-2-ylpropane-1,3-diol;2-pentan-3-ylpropane-1,3-diol
CID 174400202
2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine
CID 107887186

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-3-methylhexan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-3-methylhexan-1-amine (CID 107897145) is N-tert-butyl-2-ethyl-3-methylhexan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-3-methylhexan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-3-methylhexan-1-amine is CCCC(C)C(CC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethyl-3-methylhexan-1-amine?
The InChIKey is AKAFLHVGVSDFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-9-11(3)12(8-2)10-14-13(4,5)6/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethyl-3-methylhexan-1-amine?
N-tert-butyl-2-ethyl-3-methylhexan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-3-methylhexan-1-amine is sourced from PubChem (CID 107897145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).