N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine

C19H29N — CID 116517434

IUPACN-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(C1CCCC(C)C1)C1CC1c1ccccc1
InChIInChI=1S/C19H29N/c1-3-20-19(16-11-7-8-14(2)12-16)18-13-17(18)15-9-5-4-6-10-15/h4-6,9-10,14,16-20H,3,7-8,11-13H2,1-2H3
InChIKeyWRRMRSZOCKXUQP-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.59
Rot. Bonds5

About N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine

N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine (PubChem CID 116517434) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine
PubChem CID116517434
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(C1CCCC(C)C1)C1CC1c1ccccc1
InChIInChI=1S/C19H29N/c1-3-20-19(16-11-7-8-14(2)12-16)18-13-17(18)15-9-5-4-6-10-15/h4-6,9-10,14,16-20H,3,7-8,11-13H2,1-2H3
InChIKeyWRRMRSZOCKXUQP-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517534
N-[cyclopentyl-(3-methylcyclohexyl)methyl]ethanamine
CID 63415340
[cyclobutyl-(2-phenylcyclopropyl)methyl]hydrazine
CID 105224591
2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
CID 105052609
2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine
CID 105052535
N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052510
2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116722479
N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052478
N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 116506045
N-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
CID 63936484
N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517740
N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052714

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine (CID 116517434) is N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine is CCNC(C1CCCC(C)C1)C1CC1c1ccccc1.
What is the InChIKey of N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is WRRMRSZOCKXUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-3-20-19(16-11-7-8-14(2)12-16)18-13-17(18)15-9-5-4-6-10-15/h4-6,9-10,14,16-20H,3,7-8,11-13H2,1-2H3.
What are the key properties of N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine?
N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 271.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)-(2-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 116517434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).