4-ethyl-4-methylhexan-3-amine

C9H21N — CID 163866952

IUPAC4-ethyl-4-methylhexan-3-amine
SMILESCCC(N)C(C)(CC)CC
InChIInChI=1S/C9H21N/c1-5-8(10)9(4,6-2)7-3/h8H,5-7,10H2,1-4H3
InChIKeyPHLVDVIHFUMDHZ-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.55
Rot. Bonds4

About 4-ethyl-4-methylhexan-3-amine

4-ethyl-4-methylhexan-3-amine (PubChem CID 163866952) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 4-ethyl-4-methylhexan-3-amine.

Molecular Properties

Compound Name4-ethyl-4-methylhexan-3-amine
PubChem CID163866952
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name4-ethyl-4-methylhexan-3-amine
SMILESCCC(N)C(C)(CC)CC
InChIInChI=1S/C9H21N/c1-5-8(10)9(4,6-2)7-3/h8H,5-7,10H2,1-4H3
InChIKeyPHLVDVIHFUMDHZ-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-4-ethyl-4-methylheptan-3-amine
CID 163621922
4-fluoro-4-methylhexan-3-amine
CID 167068220
4-amino-3-ethylhexane-3-thiol
CID 19896314
3,3-dimethylhexane-1,4-diamine
CID 116934427
CID 169179164
CID 169179164
3-ethyl-3,5-dimethylhexan-2-amine
CID 146359872
4-amino-3,3-dimethylhexane-1-thiol
CID 166458300
2-methyl-2-trimethoxysilylpentan-3-amine
CID 87850746
1-N,2,2-trimethylpentane-1,3-diamine
CID 162525964
3-aminopentane-1,1,1,2,2-pentol
CID 90384532
3,5-diethyl-3,5-dimethylheptan-4-ol
CID 58905143
2,3-diamino-2-methylpentanoic acid
CID 174904940

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methylhexan-3-amine?
The IUPAC name of 4-ethyl-4-methylhexan-3-amine (CID 163866952) is 4-ethyl-4-methylhexan-3-amine.
What is the SMILES notation for 4-ethyl-4-methylhexan-3-amine?
The canonical SMILES for 4-ethyl-4-methylhexan-3-amine is CCC(N)C(C)(CC)CC.
What is the InChIKey of 4-ethyl-4-methylhexan-3-amine?
The InChIKey is PHLVDVIHFUMDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-5-8(10)9(4,6-2)7-3/h8H,5-7,10H2,1-4H3.
What are the key properties of 4-ethyl-4-methylhexan-3-amine?
4-ethyl-4-methylhexan-3-amine has a molecular weight of 143.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methylhexan-3-amine is sourced from PubChem (CID 163866952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).