5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine

C13H27N — CID 129265469

IUPAC5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine
SMILESC=C(C)NC(CC)CC(CC)C(C)C
InChIInChI=1S/C13H27N/c1-7-12(10(3)4)9-13(8-2)14-11(5)6/h10,12-14H,5,7-9H2,1-4,6H3
InChIKeySHGGTGLYNRZHQU-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.96
Rot. Bonds7

About 5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine

5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine (PubChem CID 129265469) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine.

Molecular Properties

Compound Name5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine
PubChem CID129265469
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine
SMILESC=C(C)NC(CC)CC(CC)C(C)C
InChIInChI=1S/C13H27N/c1-7-12(10(3)4)9-13(8-2)14-11(5)6/h10,12-14H,5,7-9H2,1-4,6H3
InChIKeySHGGTGLYNRZHQU-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine?
The IUPAC name of 5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine (CID 129265469) is 5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine.
What is the SMILES notation for 5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine?
The canonical SMILES for 5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine is C=C(C)NC(CC)CC(CC)C(C)C.
What is the InChIKey of 5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine?
The InChIKey is SHGGTGLYNRZHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-7-12(10(3)4)9-13(8-2)14-11(5)6/h10,12-14H,5,7-9H2,1-4,6H3.
What are the key properties of 5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine?
5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine has a molecular weight of 197.37 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine is sourced from PubChem (CID 129265469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).