1-(2-ethylcyclohexyl)-2-(oxolan-2-yl)ethanamine

C14H27NO — CID 63863454

IUPAC1-(2-ethylcyclohexyl)-2-(oxolan-2-yl)ethanamine
SMILESCCC1CCCCC1C(N)CC1CCCO1
InChIInChI=1S/C14H27NO/c1-2-11-6-3-4-8-13(11)14(15)10-12-7-5-9-16-12/h11-14H,2-10,15H2,1H3
InChIKeyBYVSRBLJCBMHHC-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.10
Rot. Bonds4

About 1-(2-ethylcyclohexyl)-2-(oxolan-2-yl)ethanamine

1-(2-ethylcyclohexyl)-2-(oxolan-2-yl)ethanamine (PubChem CID 63863454) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-2-(oxolan-2-yl)ethanamine
PubChem CID63863454
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(2-ethylcyclohexyl)-2-(oxolan-2-yl)ethanamine
SMILESCCC1CCCCC1C(N)CC1CCCO1
InChIInChI=1S/C14H27NO/c1-2-11-6-3-4-8-13(11)14(15)10-12-7-5-9-16-12/h11-14H,2-10,15H2,1H3
InChIKeyBYVSRBLJCBMHHC-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Methylpropyl)oxan-4-amine
CID 64104920
2-(Pentan-3-yl)oxan-4-amine
CID 64106641
4,4,4-Trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
CID 104992909
Oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105147621
4-(Oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105156669
3-(Oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105156916
1-(4,4-Difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 105156948
3-Fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
CID 107443533
4-Fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 112562282
3-Fluoro-3-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 112567380
5,5,5-Trifluoro-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine
CID 113672094
2-(3,3-Difluorocyclohexyl)-1-(2-methyloxolan-3-yl)ethanamine
CID 114225873

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(2-ethylcyclohexyl)-2-(oxolan-2-yl)ethanamine (CID 63863454) is 1-(2-ethylcyclohexyl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-2-(oxolan-2-yl)ethanamine is CCC1CCCCC1C(N)CC1CCCO1.
What is the InChIKey of 1-(2-ethylcyclohexyl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is BYVSRBLJCBMHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-11-6-3-4-8-13(11)14(15)10-12-7-5-9-16-12/h11-14H,2-10,15H2,1H3.
What are the key properties of 1-(2-ethylcyclohexyl)-2-(oxolan-2-yl)ethanamine?
1-(2-ethylcyclohexyl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 225.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 63863454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).