6-methylheptan-3-amine

C8H19N — CID 43175892

IUPAC6-methylheptan-3-amine
SMILESCCC(N)CCC(C)C
InChIInChI=1S/C8H19N/c1-4-8(9)6-5-7(2)3/h7-8H,4-6,9H2,1-3H3
InChIKeyVYNGSWRPKZBLTN-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.16
Rot. Bonds4

About 6-methylheptan-3-amine

6-methylheptan-3-amine (PubChem CID 43175892) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is 6-methylheptan-3-amine.

Molecular Properties

Compound Name6-methylheptan-3-amine
PubChem CID43175892
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name6-methylheptan-3-amine
SMILESCCC(N)CCC(C)C
InChIInChI=1S/C8H19N/c1-4-8(9)6-5-7(2)3/h7-8H,4-6,9H2,1-3H3
InChIKeyVYNGSWRPKZBLTN-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methylheptan-3-amine?
The IUPAC name of 6-methylheptan-3-amine (CID 43175892) is 6-methylheptan-3-amine.
What is the SMILES notation for 6-methylheptan-3-amine?
The canonical SMILES for 6-methylheptan-3-amine is CCC(N)CCC(C)C.
What is the InChIKey of 6-methylheptan-3-amine?
The InChIKey is VYNGSWRPKZBLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-4-8(9)6-5-7(2)3/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 6-methylheptan-3-amine?
6-methylheptan-3-amine has a molecular weight of 129.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptan-3-amine is sourced from PubChem (CID 43175892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).