3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine

C16H35N — CID 146474231

IUPAC3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine
SMILESCCC(CC)(CC(C(C)C)C(C)C)NC(C)C
InChIInChI=1S/C16H35N/c1-9-16(10-2,17-14(7)8)11-15(12(3)4)13(5)6/h12-15,17H,9-11H2,1-8H3
InChIKeyLUSHUQSHMFXUGR-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.86
Rot. Bonds8

About 3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine

3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine (PubChem CID 146474231) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine.

Molecular Properties

Compound Name3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine
PubChem CID146474231
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine
SMILESCCC(CC)(CC(C(C)C)C(C)C)NC(C)C
InChIInChI=1S/C16H35N/c1-9-16(10-2,17-14(7)8)11-15(12(3)4)13(5)6/h12-15,17H,9-11H2,1-8H3
InChIKeyLUSHUQSHMFXUGR-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine?
The IUPAC name of 3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine (CID 146474231) is 3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine.
What is the SMILES notation for 3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine?
The canonical SMILES for 3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine is CCC(CC)(CC(C(C)C)C(C)C)NC(C)C.
What is the InChIKey of 3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine?
The InChIKey is LUSHUQSHMFXUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-9-16(10-2,17-14(7)8)11-15(12(3)4)13(5)6/h12-15,17H,9-11H2,1-8H3.
What are the key properties of 3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine?
3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine has a molecular weight of 241.46 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine is sourced from PubChem (CID 146474231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).