N-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine

C21H33N — CID 63521307

IUPACN-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine
SMILESCCCCC1CCC(CNC2CC2)(Cc2ccccc2)CC1
InChIInChI=1S/C21H33N/c1-2-3-7-18-12-14-21(15-13-18,17-22-20-10-11-20)16-19-8-5-4-6-9-19/h4-6,8-9,18,20,22H,2-3,7,10-17H2,1H3
InChIKeyODYBMILCWIDJIL-UHFFFAOYSA-N
MW299.50 g/mol
LogP5.35
Rot. Bonds8

About N-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine

N-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine (PubChem CID 63521307) has the molecular formula C21H33N and a molecular weight of 299.50 g/mol. Its IUPAC name is N-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine
PubChem CID63521307
Molecular FormulaC21H33N
Molecular Weight299.50 g/mol
Exact Mass299.26
IUPAC NameN-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine
SMILESCCCCC1CCC(CNC2CC2)(Cc2ccccc2)CC1
InChIInChI=1S/C21H33N/c1-2-3-7-18-12-14-21(15-13-18,17-22-20-10-11-20)16-19-8-5-4-6-9-19/h4-6,8-9,18,20,22H,2-3,7,10-17H2,1H3
InChIKeyODYBMILCWIDJIL-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1-benzyl-4-butylcyclohexyl)methyl]propan-1-amine
CID 63522017
N-[(1-benzylcyclopropyl)methyl]cyclopropanamine
CID 66026239
N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine
CID 63523447
N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63523446
1-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-4-ethylbenzene
CID 66034852
N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 63521135
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine
CID 57169431
[4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol
CID 66026290
N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 83178610
1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine
CID 65020237
[4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine
CID 82925896

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine (CID 63521307) is N-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine is CCCCC1CCC(CNC2CC2)(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is ODYBMILCWIDJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N/c1-2-3-7-18-12-14-21(15-13-18,17-22-20-10-11-20)16-19-8-5-4-6-9-19/h4-6,8-9,18,20,22H,2-3,7,10-17H2,1H3.
What are the key properties of N-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine?
N-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 299.50 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 63521307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).