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

C13H27N — CID 163675203

IUPAC2-ethyl-6-methyl-N-prop-1-en-2-ylheptan-1-amine
SMILESC=C(C)NCC(CC)CCCC(C)C
InChIInChI=1S/C13H27N/c1-6-13(10-14-12(4)5)9-7-8-11(2)3/h11,13-14H,4,6-10H2,1-3,5H3
InChIKeyJGCAGCGCQCXODH-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.96
Rot. Bonds8

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

2-ethyl-6-methyl-N-prop-1-en-2-ylheptan-1-amine (PubChem CID 163675203) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-prop-1-en-2-ylheptan-1-amine.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-prop-1-en-2-ylheptan-1-amine
PubChem CID163675203
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-ethyl-6-methyl-N-prop-1-en-2-ylheptan-1-amine
SMILESC=C(C)NCC(CC)CCCC(C)C
InChIInChI=1S/C13H27N/c1-6-13(10-14-12(4)5)9-7-8-11(2)3/h11,13-14H,4,6-10H2,1-3,5H3
InChIKeyJGCAGCGCQCXODH-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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 2-ethyl-6-methyl-N-prop-1-en-2-ylheptan-1-amine?
The IUPAC name of 2-ethyl-6-methyl-N-prop-1-en-2-ylheptan-1-amine (CID 163675203) is 2-ethyl-6-methyl-N-prop-1-en-2-ylheptan-1-amine.
What is the SMILES notation for 2-ethyl-6-methyl-N-prop-1-en-2-ylheptan-1-amine?
The canonical SMILES for 2-ethyl-6-methyl-N-prop-1-en-2-ylheptan-1-amine is C=C(C)NCC(CC)CCCC(C)C.
What is the InChIKey of 2-ethyl-6-methyl-N-prop-1-en-2-ylheptan-1-amine?
The InChIKey is JGCAGCGCQCXODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-13(10-14-12(4)5)9-7-8-11(2)3/h11,13-14H,4,6-10H2,1-3,5H3.
What are the key properties of 2-ethyl-6-methyl-N-prop-1-en-2-ylheptan-1-amine?
2-ethyl-6-methyl-N-prop-1-en-2-ylheptan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-prop-1-en-2-ylheptan-1-amine is sourced from PubChem (CID 163675203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).