1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine

C16H31NO — CID 113362179

IUPAC1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
SMILESCCNC(CC1CCOC1)C1CC(C)CC(C)C1
InChIInChI=1S/C16H31NO/c1-4-17-16(10-14-5-6-18-11-14)15-8-12(2)7-13(3)9-15/h12-17H,4-11H2,1-3H3
InChIKeyKHSRSYYYDQUJAA-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.46
Rot. Bonds5

About 1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine

1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine (PubChem CID 113362179) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
PubChem CID113362179
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
SMILESCCNC(CC1CCOC1)C1CC(C)CC(C)C1
InChIInChI=1S/C16H31NO/c1-4-17-16(10-14-5-6-18-11-14)15-8-12(2)7-13(3)9-15/h12-17H,4-11H2,1-3H3
InChIKeyKHSRSYYYDQUJAA-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 103168801
1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine
CID 62600215
N-ethyl-1-(oxan-3-yl)-2-(oxan-4-yl)ethanamine
CID 65331868
1-cyclopentyl-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 103987304
N-ethyl-1-(oxolan-3-yl)-2-(thian-4-yl)ethanamine
CID 105147710
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 104988995
[1-cyclopropyl-2-(oxolan-3-yl)ethyl]hydrazine
CID 105265931
1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104988708
N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine
CID 103987176
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 103168792
N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine
CID 80622502
N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987433

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine (CID 113362179) is 1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine is CCNC(CC1CCOC1)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine?
The InChIKey is KHSRSYYYDQUJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-17-16(10-14-5-6-18-11-14)15-8-12(2)7-13(3)9-15/h12-17H,4-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine?
1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine has a molecular weight of 253.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 113362179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).