3-ethyl-4,4-dimethylpentan-1-amine

C9H21N — CID 134419150

IUPAC3-ethyl-4,4-dimethylpentan-1-amine
SMILESCCC(CCN)C(C)(C)C
InChIInChI=1S/C9H21N/c1-5-8(6-7-10)9(2,3)4/h8H,5-7,10H2,1-4H3
InChIKeyRQPVFCUESDFIQT-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.41
Rot. Bonds3

About 3-ethyl-4,4-dimethylpentan-1-amine

3-ethyl-4,4-dimethylpentan-1-amine (PubChem CID 134419150) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 3-ethyl-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-4,4-dimethylpentan-1-amine
PubChem CID134419150
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name3-ethyl-4,4-dimethylpentan-1-amine
SMILESCCC(CCN)C(C)(C)C
InChIInChI=1S/C9H21N/c1-5-8(6-7-10)9(2,3)4/h8H,5-7,10H2,1-4H3
InChIKeyRQPVFCUESDFIQT-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,4-dimethylpentan-1-amine?
The IUPAC name of 3-ethyl-4,4-dimethylpentan-1-amine (CID 134419150) is 3-ethyl-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 3-ethyl-4,4-dimethylpentan-1-amine?
The canonical SMILES for 3-ethyl-4,4-dimethylpentan-1-amine is CCC(CCN)C(C)(C)C.
What is the InChIKey of 3-ethyl-4,4-dimethylpentan-1-amine?
The InChIKey is RQPVFCUESDFIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-5-8(6-7-10)9(2,3)4/h8H,5-7,10H2,1-4H3.
What are the key properties of 3-ethyl-4,4-dimethylpentan-1-amine?
3-ethyl-4,4-dimethylpentan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 134419150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).