4-ethylheptan-1-amine

C9H21N — CID 57294680

IUPAC4-ethylheptan-1-amine
SMILESCCCC(CC)CCCN
InChIInChI=1S/C9H21N/c1-3-6-9(4-2)7-5-8-10/h9H,3-8,10H2,1-2H3
InChIKeyVSTXCOMAIYVUIK-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.55
Rot. Bonds6

About 4-ethylheptan-1-amine

4-ethylheptan-1-amine (PubChem CID 57294680) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 4-ethylheptan-1-amine.

Molecular Properties

Compound Name4-ethylheptan-1-amine
PubChem CID57294680
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name4-ethylheptan-1-amine
SMILESCCCC(CC)CCCN
InChIInChI=1S/C9H21N/c1-3-6-9(4-2)7-5-8-10/h9H,3-8,10H2,1-2H3
InChIKeyVSTXCOMAIYVUIK-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 4-ethylheptan-1-amine?
The IUPAC name of 4-ethylheptan-1-amine (CID 57294680) is 4-ethylheptan-1-amine.
What is the SMILES notation for 4-ethylheptan-1-amine?
The canonical SMILES for 4-ethylheptan-1-amine is CCCC(CC)CCCN.
What is the InChIKey of 4-ethylheptan-1-amine?
The InChIKey is VSTXCOMAIYVUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-3-6-9(4-2)7-5-8-10/h9H,3-8,10H2,1-2H3.
What are the key properties of 4-ethylheptan-1-amine?
4-ethylheptan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylheptan-1-amine is sourced from PubChem (CID 57294680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).