N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine

C17H35N — CID 81031709

IUPACN-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1CCC(C)(C)C
InChIInChI=1S/C17H35N/c1-6-14-8-9-16(13-18-7-2)15(12-14)10-11-17(3,4)5/h14-16,18H,6-13H2,1-5H3
InChIKeySMAMKHBJPATVLY-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.86
Rot. Bonds6

About N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine

N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine (PubChem CID 81031709) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine
PubChem CID81031709
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(CC)CC1CCC(C)(C)C
InChIInChI=1S/C17H35N/c1-6-14-8-9-16(13-18-7-2)15(12-14)10-11-17(3,4)5/h14-16,18H,6-13H2,1-5H3
InChIKeySMAMKHBJPATVLY-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine
CID 106735597
N-[[4-ethyl-2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]ethanamine
CID 81031337
2-(3,3-dimethylbutyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63403718
N-[[2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 81030002
N-[[2-[(3,5-difluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 105411527
N-[[4-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]ethanamine
CID 116628199
N-[(2-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029219
N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81032468
N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine
CID 82935925
N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029297
N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine
CID 81032472
N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029529

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine (CID 81031709) is N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine is CCNCC1CCC(CC)CC1CCC(C)(C)C.
What is the InChIKey of N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine?
The InChIKey is SMAMKHBJPATVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-6-14-8-9-16(13-18-7-2)15(12-14)10-11-17(3,4)5/h14-16,18H,6-13H2,1-5H3.
What are the key properties of N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine?
N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine has a molecular weight of 253.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81031709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).