N-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine

C18H35NO2 — CID 62109568

IUPACN-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(CNC(C)(C)C)(OCC2CCOC2)CC1
InChIInChI=1S/C18H35NO2/c1-5-15-6-9-18(10-7-15,14-19-17(2,3)4)21-13-16-8-11-20-12-16/h15-16,19H,5-14H2,1-4H3
InChIKeyYUYYHBWGZRIIBO-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.77
Rot. Bonds6

About N-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 62109568) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is N-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID62109568
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC NameN-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(CNC(C)(C)C)(OCC2CCOC2)CC1
InChIInChI=1S/C18H35NO2/c1-5-15-6-9-18(10-7-15,14-19-17(2,3)4)21-13-16-8-11-20-12-16/h15-16,19H,5-14H2,1-4H3
InChIKeyYUYYHBWGZRIIBO-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine
CID 55066245
N-[[1-(3,3-dimethylbutoxy)-4-ethylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 66226002
[1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine
CID 55036245
N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63474782
N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 62108400
3-[[1-(iodomethyl)-4-methylcyclohexyl]oxymethyl]oxolane
CID 114773793
N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62392730
N-methyl-2-[1-(oxolan-3-ylmethoxy)cyclobutyl]ethanamine
CID 103273960
1-[4-ethyl-1-(oxolan-3-yloxy)cyclohexyl]-N-methylmethanamine
CID 63556495
3-ethyloxolane
CID 10996972
N-[[1-(cyclopentylmethoxy)-4-ethylcyclohexyl]methyl]propan-1-amine
CID 66322045
N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
CID 62382213

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 62109568) is N-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine is CCC1CCC(CNC(C)(C)C)(OCC2CCOC2)CC1.
What is the InChIKey of N-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is YUYYHBWGZRIIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-5-15-6-9-18(10-7-15,14-19-17(2,3)4)21-13-16-8-11-20-12-16/h15-16,19H,5-14H2,1-4H3.
What are the key properties of N-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 297.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-1-(oxolan-3-ylmethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62109568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).