3,7-dimethyloctan-1-amine

C10H23N — CID 13492945

IUPAC3,7-dimethyloctan-1-amine
SMILESCC(C)CCCC(C)CCN
InChIInChI=1S/C10H23N/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-8,11H2,1-3H3
InChIKeyPPKSYRUVTABEIE-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.80
Rot. Bonds6

About 3,7-dimethyloctan-1-amine

3,7-dimethyloctan-1-amine (PubChem CID 13492945) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 3,7-dimethyloctan-1-amine.

Molecular Properties

Compound Name3,7-dimethyloctan-1-amine
PubChem CID13492945
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name3,7-dimethyloctan-1-amine
SMILESCC(C)CCCC(C)CCN
InChIInChI=1S/C10H23N/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-8,11H2,1-3H3
InChIKeyPPKSYRUVTABEIE-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloctan-1-amine?
The IUPAC name of 3,7-dimethyloctan-1-amine (CID 13492945) is 3,7-dimethyloctan-1-amine.
What is the SMILES notation for 3,7-dimethyloctan-1-amine?
The canonical SMILES for 3,7-dimethyloctan-1-amine is CC(C)CCCC(C)CCN.
What is the InChIKey of 3,7-dimethyloctan-1-amine?
The InChIKey is PPKSYRUVTABEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 3,7-dimethyloctan-1-amine?
3,7-dimethyloctan-1-amine has a molecular weight of 157.30 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloctan-1-amine is sourced from PubChem (CID 13492945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).