N-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine

C18H35N — CID 107189244

IUPACN-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCC(CC)CC1)C1CCCC1(C)C
InChIInChI=1S/C18H35N/c1-5-14-9-11-15(12-10-14)17(19-6-2)16-8-7-13-18(16,3)4/h14-17,19H,5-13H2,1-4H3
InChIKeyQOCUQFJJXPGNRI-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.01
Rot. Bonds5

About N-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine

N-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine (PubChem CID 107189244) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine
PubChem CID107189244
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCC(CC)CC1)C1CCCC1(C)C
InChIInChI=1S/C18H35N/c1-5-14-9-11-15(12-10-14)17(19-6-2)16-8-7-13-18(16,3)4/h14-17,19H,5-13H2,1-4H3
InChIKeyQOCUQFJJXPGNRI-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine (CID 107189244) is N-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine is CCNC(C1CCC(CC)CC1)C1CCCC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine?
The InChIKey is QOCUQFJJXPGNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-5-14-9-11-15(12-10-14)17(19-6-2)16-8-7-13-18(16,3)4/h14-17,19H,5-13H2,1-4H3.
What are the key properties of N-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine?
N-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine has a molecular weight of 265.48 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-[(2,2-dimethylcyclopentyl)-(4-ethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 107189244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).