6-methyl-N-prop-2-enylhept-5-en-2-amine

C11H21N — CID 20850

IUPAC6-methyl-N-prop-2-enylhept-5-en-2-amine
SMILESC=CCNC(C)CCC=C(C)C
InChIInChI=1S/C11H21N/c1-5-9-12-11(4)8-6-7-10(2)3/h5,7,11-12H,1,6,8-9H2,2-4H3
InChIKeyDZDMCNWRZMNEGT-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.90
Rot. Bonds6

About 6-methyl-N-prop-2-enylhept-5-en-2-amine

6-methyl-N-prop-2-enylhept-5-en-2-amine (PubChem CID 20850) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 6-methyl-N-prop-2-enylhept-5-en-2-amine.

Molecular Properties

Compound Name6-methyl-N-prop-2-enylhept-5-en-2-amine
PubChem CID20850
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name6-methyl-N-prop-2-enylhept-5-en-2-amine
SMILESC=CCNC(C)CCC=C(C)C
InChIInChI=1S/C11H21N/c1-5-9-12-11(4)8-6-7-10(2)3/h5,7,11-12H,1,6,8-9H2,2-4H3
InChIKeyDZDMCNWRZMNEGT-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-prop-2-enylhept-5-en-2-amine?
The IUPAC name of 6-methyl-N-prop-2-enylhept-5-en-2-amine (CID 20850) is 6-methyl-N-prop-2-enylhept-5-en-2-amine.
What is the SMILES notation for 6-methyl-N-prop-2-enylhept-5-en-2-amine?
The canonical SMILES for 6-methyl-N-prop-2-enylhept-5-en-2-amine is C=CCNC(C)CCC=C(C)C.
What is the InChIKey of 6-methyl-N-prop-2-enylhept-5-en-2-amine?
The InChIKey is DZDMCNWRZMNEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-9-12-11(4)8-6-7-10(2)3/h5,7,11-12H,1,6,8-9H2,2-4H3.
What are the key properties of 6-methyl-N-prop-2-enylhept-5-en-2-amine?
6-methyl-N-prop-2-enylhept-5-en-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-prop-2-enylhept-5-en-2-amine is sourced from PubChem (CID 20850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).