N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine

C19H35N — CID 81025418

IUPACN-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine
SMILESCC1CC(C)CC(C2CCCCCC2CNC2CC2)C1
InChIInChI=1S/C19H35N/c1-14-10-15(2)12-17(11-14)19-7-5-3-4-6-16(19)13-20-18-8-9-18/h14-20H,3-13H2,1-2H3
InChIKeyJPUUDNRWUFRAMC-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.01
Rot. Bonds4

About N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine

N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine (PubChem CID 81025418) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine
PubChem CID81025418
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine
SMILESCC1CC(C)CC(C2CCCCCC2CNC2CC2)C1
InChIInChI=1S/C19H35N/c1-14-10-15(2)12-17(11-14)19-7-5-3-4-6-16(19)13-20-18-8-9-18/h14-20H,3-13H2,1-2H3
InChIKeyJPUUDNRWUFRAMC-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine
CID 81033733
N-[(2-cycloheptylcycloheptyl)methyl]cyclopropanamine
CID 82935728
N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032057
N-[(2-cyclohexylcyclobutyl)methyl]cyclopropanamine
CID 81017544
N-[[2-(3-ethylcyclohexyl)cyclopentyl]methyl]cyclopropanamine
CID 81034069
2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine
CID 64730144
N-[(2-methylcyclopentyl)methyl]cyclooctanamine
CID 107417462
N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine
CID 81029060
[2-[[(3-methylcyclobutyl)amino]methyl]cyclohexyl]methanol
CID 103562043
N-[(2-propylcycloheptyl)methyl]cyclopropanamine
CID 81026279
1-(2-cyclohexylcycloheptyl)-N-methylmethanamine
CID 81025955
N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine
CID 114100509

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine (CID 81025418) is N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine is CC1CC(C)CC(C2CCCCCC2CNC2CC2)C1.
What is the InChIKey of N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is JPUUDNRWUFRAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-14-10-15(2)12-17(11-14)19-7-5-3-4-6-16(19)13-20-18-8-9-18/h14-20H,3-13H2,1-2H3.
What are the key properties of N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine?
N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 277.50 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 81025418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).