N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine

C18H35NO — CID 81031337

IUPACN-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1CCCC1CCCO1
InChIInChI=1S/C18H35NO/c1-3-15-10-11-17(14-19-4-2)16(13-15)7-5-8-18-9-6-12-20-18/h15-19H,3-14H2,1-2H3
InChIKeyWMWVJCXHHWYWLB-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.39
Rot. Bonds8

About N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine

N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine (PubChem CID 81031337) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine
PubChem CID81031337
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1CCCC1CCCO1
InChIInChI=1S/C18H35NO/c1-3-15-10-11-17(14-19-4-2)16(13-15)7-5-8-18-9-6-12-20-18/h15-19H,3-14H2,1-2H3
InChIKeyWMWVJCXHHWYWLB-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexan-1-ol
CID 65166209
2-[3-(2-chloro-5-ethylcyclohexyl)propyl]oxolane
CID 65165949
N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine
CID 81031709
N-[[2-[3-(oxolan-2-yl)propyl]cyclobutyl]methyl]propan-2-amine
CID 81017533
2-[2-(2-bromo-5-ethylcyclohexyl)ethyl]oxolane
CID 65166473
2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine
CID 81033452
N-[[2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]propan-2-amine
CID 81024162
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
N-[(2-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029219
N-[[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 81033878
N,4-diethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62609986
N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025790

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine (CID 81031337) is N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine is CCNCC1CCC(CC)CC1CCCC1CCCO1.
What is the InChIKey of N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine?
The InChIKey is WMWVJCXHHWYWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-15-10-11-17(14-19-4-2)16(13-15)7-5-8-18-9-6-12-20-18/h15-19H,3-14H2,1-2H3.
What are the key properties of N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine?
N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine has a molecular weight of 281.48 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81031337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).