3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine

C22H33N — CID 176731758

IUPAC3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
SMILESCN(CC=CC1CCCCC1)Cc1ccc2c(c1)CCCCC2
InChIInChI=1S/C22H33N/c1-23(16-8-11-19-9-4-2-5-10-19)18-20-14-15-21-12-6-3-7-13-22(21)17-20/h8,11,14-15,17,19H,2-7,9-10,12-13,16,18H2,1H3
InChIKeyQMUGPXBAVNMVEV-UHFFFAOYSA-N
MW311.51 g/mol
LogP5.52
Rot. Bonds5

About 3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine

3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine (PubChem CID 176731758) has the molecular formula C22H33N and a molecular weight of 311.51 g/mol. Its IUPAC name is 3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
PubChem CID176731758
Molecular FormulaC22H33N
Molecular Weight311.51 g/mol
Exact Mass311.26
IUPAC Name3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
SMILESCN(CC=CC1CCCCC1)Cc1ccc2c(c1)CCCCC2
InChIInChI=1S/C22H33N/c1-23(16-8-11-19-9-4-2-5-10-19)18-20-14-15-21-12-6-3-7-13-22(21)17-20/h8,11,14-15,17,19H,2-7,9-10,12-13,16,18H2,1H3
InChIKeyQMUGPXBAVNMVEV-UHFFFAOYSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine
CID 176731872
N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
CID 176731750
3-(4-fluorophenyl)-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
CID 176731749
(E)-3-(4-methoxyphenyl)-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
CID 118588145
N-methyl-3-(3-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
CID 176731743
(E)-3-(4-methoxyphenyl)-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine;hydrochloride
CID 127044134
(E)-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 127045124
[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]methanethiol
CID 115228031
N-methyl-1-pyrrolidin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)methanamine
CID 115208315
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613733
2-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylcyclohexan-1-amine
CID 102637515
N'-(2,3-dihydro-1H-inden-5-ylmethyl)-N,N'-dimethylmethanediamine
CID 115226970

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine (CID 176731758) is 3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine is CN(CC=CC1CCCCC1)Cc1ccc2c(c1)CCCCC2.
What is the InChIKey of 3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is QMUGPXBAVNMVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N/c1-23(16-8-11-19-9-4-2-5-10-19)18-20-14-15-21-12-6-3-7-13-22(21)17-20/h8,11,14-15,17,19H,2-7,9-10,12-13,16,18H2,1H3.
What are the key properties of 3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine?
3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 311.51 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 176731758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).