N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine

C19H35N — CID 81029060

IUPACN-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(C2CCCC(C)C2)C1
InChIInChI=1S/C19H35N/c1-3-15-7-8-17(13-20-18-9-10-18)19(12-15)16-6-4-5-14(2)11-16/h14-20H,3-13H2,1-2H3
InChIKeyZTFQZNHCKBQLJF-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.01
Rot. Bonds5

About N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine

N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 81029060) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID81029060
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(C2CCCC(C)C2)C1
InChIInChI=1S/C19H35N/c1-3-15-7-8-17(13-20-18-9-10-18)19(12-15)16-6-4-5-14(2)11-16/h14-20H,3-13H2,1-2H3
InChIKeyZTFQZNHCKBQLJF-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

1-[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]-N-methylmethanamine
CID 81031697
N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine
CID 81033733
N-[[2-(3-ethylcyclohexyl)cyclopentyl]methyl]cyclopropanamine
CID 81034069
1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025745
N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032057
N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81034865
N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032192
N-(3-ethylcyclopentyl)-3-methylcyclohexan-1-amine
CID 64501673
N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine
CID 81025418
1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031403
N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine
CID 81032472
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine (CID 81029060) is N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine is CCC1CCC(CNC2CC2)C(C2CCCC(C)C2)C1.
What is the InChIKey of N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is ZTFQZNHCKBQLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-3-15-7-8-17(13-20-18-9-10-18)19(12-15)16-6-4-5-14(2)11-16/h14-20H,3-13H2,1-2H3.
What are the key properties of N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine?
N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 277.50 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81029060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).