N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine

C19H39NO — CID 103285214

IUPACN-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine
SMILESCCCC(C)COC1(CNCC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H39NO/c1-7-9-16(3)14-21-19(15-20-8-2)12-10-17(11-13-19)18(4,5)6/h16-17,20H,7-15H2,1-6H3
InChIKeyGKBSUOOWOLGQOA-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.02
Rot. Bonds8

About N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine

N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine (PubChem CID 103285214) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine
PubChem CID103285214
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC NameN-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine
SMILESCCCC(C)COC1(CNCC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H39NO/c1-7-9-16(3)14-21-19(15-20-8-2)12-10-17(11-13-19)18(4,5)6/h16-17,20H,7-15H2,1-6H3
InChIKeyGKBSUOOWOLGQOA-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine 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

[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine
CID 65052671
[4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine
CID 65052867
N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine
CID 63474602
N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82005818
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 82007334
N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine
CID 63473883
N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine
CID 63475880
N-methyl-1-[1-(2-methylpentoxy)cyclohexyl]methanamine
CID 103285151
N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 102984714
N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 62108168
N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine
CID 113361862
1-(iodomethyl)-1-(2-methylpentoxy)-4-propan-2-ylcyclohexane
CID 103285102

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine (CID 103285214) is N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine is CCCC(C)COC1(CNCC)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine?
The InChIKey is GKBSUOOWOLGQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-7-9-16(3)14-21-19(15-20-8-2)12-10-17(11-13-19)18(4,5)6/h16-17,20H,7-15H2,1-6H3.
What are the key properties of N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine?
N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine has a molecular weight of 297.53 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 103285214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).