3-ethylheptan-4-amine

C9H21N — CID 21074386

IUPAC3-ethylheptan-4-amine
SMILESCCCC(N)C(CC)CC
InChIInChI=1S/C9H21N/c1-4-7-9(10)8(5-2)6-3/h8-9H,4-7,10H2,1-3H3
InChIKeyNSOYUXWFUXFZIN-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.55
Rot. Bonds5

About 3-ethylheptan-4-amine

3-ethylheptan-4-amine (PubChem CID 21074386) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 3-ethylheptan-4-amine.

Molecular Properties

Compound Name3-ethylheptan-4-amine
PubChem CID21074386
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name3-ethylheptan-4-amine
SMILESCCCC(N)C(CC)CC
InChIInChI=1S/C9H21N/c1-4-7-9(10)8(5-2)6-3/h8-9H,4-7,10H2,1-3H3
InChIKeyNSOYUXWFUXFZIN-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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 3-ethylheptan-4-amine?
The IUPAC name of 3-ethylheptan-4-amine (CID 21074386) is 3-ethylheptan-4-amine.
What is the SMILES notation for 3-ethylheptan-4-amine?
The canonical SMILES for 3-ethylheptan-4-amine is CCCC(N)C(CC)CC.
What is the InChIKey of 3-ethylheptan-4-amine?
The InChIKey is NSOYUXWFUXFZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-4-7-9(10)8(5-2)6-3/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 3-ethylheptan-4-amine?
3-ethylheptan-4-amine has a molecular weight of 143.27 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylheptan-4-amine is sourced from PubChem (CID 21074386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).