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

C11H22BrN — CID 173358524

IUPACN-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide
SMILESBr.C=CCC(CC=C)CCCNC
InChIInChI=1S/C11H21N.BrH/c1-4-7-11(8-5-2)9-6-10-12-3;/h4-5,11-12H,1-2,6-10H2,3H3;1H
InChIKeyMNEKMLMAGKDJRV-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.33
Rot. Bonds8

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

N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide (PubChem CID 173358524) has the molecular formula C11H22BrN and a molecular weight of 248.21 g/mol. Its IUPAC name is N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide.

Molecular Properties

Compound NameN-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide
PubChem CID173358524
Molecular FormulaC11H22BrN
Molecular Weight248.21 g/mol
Exact Mass247.09
IUPAC NameN-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide
SMILESBr.C=CCC(CC=C)CCCNC
InChIInChI=1S/C11H21N.BrH/c1-4-7-11(8-5-2)9-6-10-12-3;/h4-5,11-12H,1-2,6-10H2,3H3;1H
InChIKeyMNEKMLMAGKDJRV-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-prop-2-enylpentadec-1-ene
CID 54427529
4-ethyl-N-methylhexan-1-amine;hydrochloride
CID 122164420
4-prop-2-enylhept-6-en-1-amine;hydrochloride
CID 87790253
2-ethyl-N-methylpent-4-en-1-amine
CID 131051104
17-prop-2-enyltetratriacontane
CID 173452630
(4S)-4-ethyloct-1-ene
CID 129373406
(6Z)-1-(methylamino)nona-6,8-dien-4-ol
CID 167004821
dimethyl(16-prop-2-enylnonadec-18-enyl)azanium chloride
CID 176548864
4-ethyl-N-methylnonan-1-amine
CID 174361476
3-ethyl-6-(methylamino)hexan-1-ol
CID 142846754
2-[4-(methylamino)butyl]propane-1,3-diol
CID 59502430
7-prop-2-enyldodec-4-ene
CID 173342323

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide?
The IUPAC name of N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide (CID 173358524) is N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide.
What is the SMILES notation for N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide?
The canonical SMILES for N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide is Br.C=CCC(CC=C)CCCNC.
What is the InChIKey of N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide?
The InChIKey is MNEKMLMAGKDJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.BrH/c1-4-7-11(8-5-2)9-6-10-12-3;/h4-5,11-12H,1-2,6-10H2,3H3;1H.
What are the key properties of N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide?
N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide has a molecular weight of 248.21 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide is sourced from PubChem (CID 173358524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).