3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine

C17H33N — CID 64753022

IUPAC3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(CCNC2CC(C)CC(C)C2)C1
InChIInChI=1S/C17H33N/c1-13-5-4-6-16(10-13)7-8-18-17-11-14(2)9-15(3)12-17/h13-18H,4-12H2,1-3H3
InChIKeyWQLBSHWDTDBBBG-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds4

About 3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine

3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine (PubChem CID 64753022) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine
PubChem CID64753022
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(CCNC2CC(C)CC(C)C2)C1
InChIInChI=1S/C17H33N/c1-13-5-4-6-16(10-13)7-8-18-17-11-14(2)9-15(3)12-17/h13-18H,4-12H2,1-3H3
InChIKeyWQLBSHWDTDBBBG-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272
4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol
CID 106594675
N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091288
ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine
CID 145095472
N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine
CID 107907027
N-[2-(azetidin-3-yl)ethyl]-3-methylcyclobutan-1-amine
CID 116680413
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
CID 104859771
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine
CID 102869604
(2S)-1-[2-(3-methylcyclohexyl)ethylamino]propan-2-ol
CID 106932149
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine (CID 64753022) is 3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine is CC1CCCC(CCNC2CC(C)CC(C)C2)C1.
What is the InChIKey of 3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine?
The InChIKey is WQLBSHWDTDBBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-13-5-4-6-16(10-13)7-8-18-17-11-14(2)9-15(3)12-17/h13-18H,4-12H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine?
3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64753022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).