N-butan-2-yl-2-ethylhexan-1-amine

C12H27N — CID 43099642

IUPACN-butan-2-yl-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNC(C)CC
InChIInChI=1S/C12H27N/c1-5-8-9-12(7-3)10-13-11(4)6-2/h11-13H,5-10H2,1-4H3
InChIKeyVVWBFNYGKQUSKD-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds8

About N-butan-2-yl-2-ethylhexan-1-amine

N-butan-2-yl-2-ethylhexan-1-amine (PubChem CID 43099642) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-butan-2-yl-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-ethylhexan-1-amine
PubChem CID43099642
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-butan-2-yl-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNC(C)CC
InChIInChI=1S/C12H27N/c1-5-8-9-12(7-3)10-13-11(4)6-2/h11-13H,5-10H2,1-4H3
InChIKeyVVWBFNYGKQUSKD-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Propylhexedrine
CID 7558
Bis(2-ethylhexyl)amine
CID 7791
Cyclopentamine
CID 7608
Octamylamine
CID 10406
5-Ethyl-2-methylpiperidine
CID 7727
Iproheptine
CID 19917
Cyclohexaneethanamine, N,alpha-dimethyl-, hydrochloride (1:1)
CID 102541
4-Propylpiperidine
CID 31169
2,3-Dimethylpiperidine
CID 95359
(2-Cyclohexylethyl)(methyl)amine
CID 43930
Cyclopentamine Hydrochloride
CID 92798
2-Ethyl-3-(N-methylamino)hexylamine
CID 26635

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-ethylhexan-1-amine?
The IUPAC name of N-butan-2-yl-2-ethylhexan-1-amine (CID 43099642) is N-butan-2-yl-2-ethylhexan-1-amine.
What is the SMILES notation for N-butan-2-yl-2-ethylhexan-1-amine?
The canonical SMILES for N-butan-2-yl-2-ethylhexan-1-amine is CCCCC(CC)CNC(C)CC.
What is the InChIKey of N-butan-2-yl-2-ethylhexan-1-amine?
The InChIKey is VVWBFNYGKQUSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-5-8-9-12(7-3)10-13-11(4)6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of N-butan-2-yl-2-ethylhexan-1-amine?
N-butan-2-yl-2-ethylhexan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-ethylhexan-1-amine is sourced from PubChem (CID 43099642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).