3-ethyl-5,5-dimethylhexan-1-amine

C10H23N — CID 83682161

IUPAC3-ethyl-5,5-dimethylhexan-1-amine
SMILESCCC(CCN)CC(C)(C)C
InChIInChI=1S/C10H23N/c1-5-9(6-7-11)8-10(2,3)4/h9H,5-8,11H2,1-4H3
InChIKeyIIQPDGDNCNYSEI-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.80
Rot. Bonds4

About 3-ethyl-5,5-dimethylhexan-1-amine

3-ethyl-5,5-dimethylhexan-1-amine (PubChem CID 83682161) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 3-ethyl-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name3-ethyl-5,5-dimethylhexan-1-amine
PubChem CID83682161
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name3-ethyl-5,5-dimethylhexan-1-amine
SMILESCCC(CCN)CC(C)(C)C
InChIInChI=1S/C10H23N/c1-5-9(6-7-11)8-10(2,3)4/h9H,5-8,11H2,1-4H3
InChIKeyIIQPDGDNCNYSEI-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethylhexylamine
CID 7719
2,4,4-Trimethyl-1,6-hexanediamine
CID 76714
2,2,4-Trimethyl-1,6-hexanediamine
CID 92950
Tridecylamine, branched and linear
CID 22833454
3-Methyl-1-hexanamine
CID 103411
3,5,5-Trimethylhexylamine
CID 98149
4,4-Dimethylpentan-1-amine
CID 14454757
2-Propyl-1-aminopentane
CID 170419
5,5-Dimethylhexan-1-amine
CID 521948
5-Methylhexan-1-amine
CID 15267850
2-Butyl-n-octan-1-amine
CID 18673284
6,6-Dimethylheptan-1-amine hydrochloride
CID 129806976

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,5-dimethylhexan-1-amine?
The IUPAC name of 3-ethyl-5,5-dimethylhexan-1-amine (CID 83682161) is 3-ethyl-5,5-dimethylhexan-1-amine.
What is the SMILES notation for 3-ethyl-5,5-dimethylhexan-1-amine?
The canonical SMILES for 3-ethyl-5,5-dimethylhexan-1-amine is CCC(CCN)CC(C)(C)C.
What is the InChIKey of 3-ethyl-5,5-dimethylhexan-1-amine?
The InChIKey is IIQPDGDNCNYSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-5-9(6-7-11)8-10(2,3)4/h9H,5-8,11H2,1-4H3.
What are the key properties of 3-ethyl-5,5-dimethylhexan-1-amine?
3-ethyl-5,5-dimethylhexan-1-amine has a molecular weight of 157.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 83682161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).