6-methyl-N-prop-2-enylhept-1-en-4-amine

C11H21N — CID 134859993

IUPAC6-methyl-N-prop-2-enylhept-1-en-4-amine
SMILESC=CCNC(CC=C)CC(C)C
InChIInChI=1S/C11H21N/c1-5-7-11(9-10(3)4)12-8-6-2/h5-6,10-12H,1-2,7-9H2,3-4H3
InChIKeyIZXWQTDGZWRLAP-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.75
Rot. Bonds7

About 6-methyl-N-prop-2-enylhept-1-en-4-amine

6-methyl-N-prop-2-enylhept-1-en-4-amine (PubChem CID 134859993) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 6-methyl-N-prop-2-enylhept-1-en-4-amine.

Molecular Properties

Compound Name6-methyl-N-prop-2-enylhept-1-en-4-amine
PubChem CID134859993
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name6-methyl-N-prop-2-enylhept-1-en-4-amine
SMILESC=CCNC(CC=C)CC(C)C
InChIInChI=1S/C11H21N/c1-5-7-11(9-10(3)4)12-8-6-2/h5-6,10-12H,1-2,7-9H2,3-4H3
InChIKeyIZXWQTDGZWRLAP-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.75
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-1-en-4-amine?
The IUPAC name of 6-methyl-N-prop-2-enylhept-1-en-4-amine (CID 134859993) is 6-methyl-N-prop-2-enylhept-1-en-4-amine.
What is the SMILES notation for 6-methyl-N-prop-2-enylhept-1-en-4-amine?
The canonical SMILES for 6-methyl-N-prop-2-enylhept-1-en-4-amine is C=CCNC(CC=C)CC(C)C.
What is the InChIKey of 6-methyl-N-prop-2-enylhept-1-en-4-amine?
The InChIKey is IZXWQTDGZWRLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-11(9-10(3)4)12-8-6-2/h5-6,10-12H,1-2,7-9H2,3-4H3.
What are the key properties of 6-methyl-N-prop-2-enylhept-1-en-4-amine?
6-methyl-N-prop-2-enylhept-1-en-4-amine has a molecular weight of 167.30 g/mol, XLogP of 2.75, 7 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-1-en-4-amine is sourced from PubChem (CID 134859993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).