1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine

C16H31NO — CID 104748909

IUPAC1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
SMILESCC1CC(OCC(N)C2CCCC2)CC(C)(C)C1
InChIInChI=1S/C16H31NO/c1-12-8-14(10-16(2,3)9-12)18-11-15(17)13-6-4-5-7-13/h12-15H,4-11,17H2,1-3H3
InChIKeyAAUSYMGCSDVQKN-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.74
Rot. Bonds4

About 1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine

1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine (PubChem CID 104748909) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
PubChem CID104748909
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
SMILESCC1CC(OCC(N)C2CCCC2)CC(C)(C)C1
InChIInChI=1S/C16H31NO/c1-12-8-14(10-16(2,3)9-12)18-11-15(17)13-6-4-5-7-13/h12-15H,4-11,17H2,1-3H3
InChIKeyAAUSYMGCSDVQKN-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
CID 104748913
1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
CID 2770887
2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropanethioamide
CID 43368861
(2R)-1-[(2S)-2-methylpiperidin-1-ium-1-yl]-3-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol
CID 2473363
1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
CID 3394883
3-(4-bromobutoxy)-1,1,5-trimethylcyclohexane
CID 43165211
N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 103074527
1-(3,3,5-trimethylcyclohexyl)butan-1-amine
CID 83048656
4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine
CID 64708543
2-(cyclopropylamino)-4-(3,3,5-trimethylcyclohexyl)oxybutan-1-ol
CID 64802320
(2S)-1-(4-ethylpiperazin-1-yl)-3-[(1R,5R)-3,3,5-trimethylcyclohexyl]oxypropane-2-thiol
CID 51622716
(2S)-1-(4-methylpiperazin-1-yl)-3-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxypropane-2-thiol
CID 34065860

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
The IUPAC name of 1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine (CID 104748909) is 1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
The canonical SMILES for 1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine is CC1CC(OCC(N)C2CCCC2)CC(C)(C)C1.
What is the InChIKey of 1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
The InChIKey is AAUSYMGCSDVQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12-8-14(10-16(2,3)9-12)18-11-15(17)13-6-4-5-7-13/h12-15H,4-11,17H2,1-3H3.
What are the key properties of 1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine has a molecular weight of 253.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine is sourced from PubChem (CID 104748909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).