3-methyl-N-prop-1-en-2-ylhept-1-en-2-amine

C11H21N — CID 134302416

IUPAC3-methyl-N-prop-1-en-2-ylhept-1-en-2-amine
SMILESC=C(C)NC(=C)C(C)CCCC
InChIInChI=1S/C11H21N/c1-6-7-8-10(4)11(5)12-9(2)3/h10,12H,2,5-8H2,1,3-4H3
InChIKeyVGYDDCNXWLHJBD-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.45
Rot. Bonds6

About 3-methyl-N-prop-1-en-2-ylhept-1-en-2-amine

3-methyl-N-prop-1-en-2-ylhept-1-en-2-amine (PubChem CID 134302416) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-methyl-N-prop-1-en-2-ylhept-1-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-prop-1-en-2-ylhept-1-en-2-amine
PubChem CID134302416
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-methyl-N-prop-1-en-2-ylhept-1-en-2-amine
SMILESC=C(C)NC(=C)C(C)CCCC
InChIInChI=1S/C11H21N/c1-6-7-8-10(4)11(5)12-9(2)3/h10,12H,2,5-8H2,1,3-4H3
InChIKeyVGYDDCNXWLHJBD-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-prop-1-en-2-ylhept-1-en-2-amine?
The IUPAC name of 3-methyl-N-prop-1-en-2-ylhept-1-en-2-amine (CID 134302416) is 3-methyl-N-prop-1-en-2-ylhept-1-en-2-amine.
What is the SMILES notation for 3-methyl-N-prop-1-en-2-ylhept-1-en-2-amine?
The canonical SMILES for 3-methyl-N-prop-1-en-2-ylhept-1-en-2-amine is C=C(C)NC(=C)C(C)CCCC.
What is the InChIKey of 3-methyl-N-prop-1-en-2-ylhept-1-en-2-amine?
The InChIKey is VGYDDCNXWLHJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-6-7-8-10(4)11(5)12-9(2)3/h10,12H,2,5-8H2,1,3-4H3.
What are the key properties of 3-methyl-N-prop-1-en-2-ylhept-1-en-2-amine?
3-methyl-N-prop-1-en-2-ylhept-1-en-2-amine has a molecular weight of 167.30 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-prop-1-en-2-ylhept-1-en-2-amine is sourced from PubChem (CID 134302416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).