1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine

C19H37N — CID 104992281

IUPAC1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine
SMILESCCC1CCCC(C(NC)C2(CC(C)C)CCCC2)C1
InChIInChI=1S/C19H37N/c1-5-16-9-8-10-17(13-16)18(20-4)19(14-15(2)3)11-6-7-12-19/h15-18,20H,5-14H2,1-4H3
InChIKeyBMIVXQHFAXLGQC-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.40
Rot. Bonds6

About 1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine

1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine (PubChem CID 104992281) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine
PubChem CID104992281
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine
SMILESCCC1CCCC(C(NC)C2(CC(C)C)CCCC2)C1
InChIInChI=1S/C19H37N/c1-5-16-9-8-10-17(13-16)18(20-4)19(14-15(2)3)11-6-7-12-19/h15-18,20H,5-14H2,1-4H3
InChIKeyBMIVXQHFAXLGQC-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-methylcyclohexan-1-amine
CID 15921596
1,3,3-Trimethyl-N-(2-methylpropyl)-5-((2-methylpropyl)amino)cyclohexanemethanamine
CID 54504755
Di(3,3,5-trimethylcyclohexyl)amine
CID 237388
Cyclohexanemethanamine, alpha-methyl-N-octyl-, (R)-
CID 81384579
4-tert-butyl-N-octylcyclohexan-1-amine
CID 19818704
(9S,10R)-9-methylspiro[4.5]decan-10-amine
CID 42611664
9-Methylspiro[4.5]decan-10-amine
CID 74820502
4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105140028
2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
CID 114225794
Isopropyl-[3-(isopropylamino-methyl)-3,5,5-trimethyl-cyclohexyl]-amine
CID 12546507
N,3,3,5-Tetramethylcyclohexan-1-amine
CID 12766936
3,3,5-Trimethyl-5-[(4-methylpentan-2-ylamino)methyl]cyclohexan-1-amine
CID 15430966

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine?
The IUPAC name of 1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine (CID 104992281) is 1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine is CCC1CCCC(C(NC)C2(CC(C)C)CCCC2)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine?
The InChIKey is BMIVXQHFAXLGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-5-16-9-8-10-17(13-16)18(20-4)19(14-15(2)3)11-6-7-12-19/h15-18,20H,5-14H2,1-4H3.
What are the key properties of 1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine?
1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine has a molecular weight of 279.51 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine is sourced from PubChem (CID 104992281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).