1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine

C18H27N — CID 105050622

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1cccc(CC(C)C)c1)C1C2CCCC21
InChIInChI=1S/C18H27N/c1-12(2)10-13-6-4-7-14(11-13)18(19-3)17-15-8-5-9-16(15)17/h4,6-7,11-12,15-19H,5,8-10H2,1-3H3
InChIKeyHBYVMYDASKYOGK-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.19
Rot. Bonds5

About 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine

1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 105050622) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID105050622
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1cccc(CC(C)C)c1)C1C2CCCC21
InChIInChI=1S/C18H27N/c1-12(2)10-13-6-4-7-14(11-13)18(19-3)17-15-8-5-9-16(15)17/h4,6-7,11-12,15-19H,5,8-10H2,1-3H3
InChIKeyHBYVMYDASKYOGK-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine 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

N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine
CID 105050817
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 107191342
1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544532
1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022201
2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722194
N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544173
[(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105233003
3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine
CID 105050635
[[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine
CID 105255948
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893
N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine
CID 116544690
1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine (CID 105050622) is 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine is CNC(c1cccc(CC(C)C)c1)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is HBYVMYDASKYOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-12(2)10-13-6-4-7-14(11-13)18(19-3)17-15-8-5-9-16(15)17/h4,6-7,11-12,15-19H,5,8-10H2,1-3H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 257.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 105050622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).