N-butan-2-yl-3,5,5-trimethylhexan-1-amine

C13H29N — CID 61023088

IUPACN-butan-2-yl-3,5,5-trimethylhexan-1-amine
SMILESCCC(C)NCCC(C)CC(C)(C)C
InChIInChI=1S/C13H29N/c1-7-12(3)14-9-8-11(2)10-13(4,5)6/h11-12,14H,7-10H2,1-6H3
InChIKeyMEUKYWHWOCRIPR-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds6

About N-butan-2-yl-3,5,5-trimethylhexan-1-amine

N-butan-2-yl-3,5,5-trimethylhexan-1-amine (PubChem CID 61023088) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-butan-2-yl-3,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-3,5,5-trimethylhexan-1-amine
PubChem CID61023088
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-butan-2-yl-3,5,5-trimethylhexan-1-amine
SMILESCCC(C)NCCC(C)CC(C)(C)C
InChIInChI=1S/C13H29N/c1-7-12(3)14-9-8-11(2)10-13(4,5)6/h11-12,14H,7-10H2,1-6H3
InChIKeyMEUKYWHWOCRIPR-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-butan-2-yl-3,5,5-trimethylhexan-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

3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine
CID 59084965
N-butan-2-yl-3-methylbutan-1-amine;ethane
CID 142990947
(2S)-4-(butan-2-ylamino)butan-2-ol
CID 130638354
2,2,4,8,10,10-hexamethylundecane
CID 54023173
methane;2,2,4-trimethylhexane
CID 159659116
azane;2,2,4-trimethylhexane
CID 87634842
N-butan-2-yl-3,3-dimethylpentan-1-amine
CID 88992386
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
hexane;2,2,4-trimethyloctane
CID 174278610
N-butan-2-yl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 89197540
N-(3,5,5-trimethylhexyl)cyclopentanamine
CID 60984290
5-(butan-2-ylamino)-3-methylpentan-2-one
CID 118155118

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,5,5-trimethylhexan-1-amine?
The IUPAC name of N-butan-2-yl-3,5,5-trimethylhexan-1-amine (CID 61023088) is N-butan-2-yl-3,5,5-trimethylhexan-1-amine.
What is the SMILES notation for N-butan-2-yl-3,5,5-trimethylhexan-1-amine?
The canonical SMILES for N-butan-2-yl-3,5,5-trimethylhexan-1-amine is CCC(C)NCCC(C)CC(C)(C)C.
What is the InChIKey of N-butan-2-yl-3,5,5-trimethylhexan-1-amine?
The InChIKey is MEUKYWHWOCRIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-12(3)14-9-8-11(2)10-13(4,5)6/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N-butan-2-yl-3,5,5-trimethylhexan-1-amine?
N-butan-2-yl-3,5,5-trimethylhexan-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-butan-2-yl-3,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 61023088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).