4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine

C19H38N2 — CID 115653405

IUPAC4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCCC2CCN(C)CC2)CC1
InChIInChI=1S/C19H38N2/c1-5-19(2,3)17-6-8-18(9-7-17)20-13-10-16-11-14-21(4)15-12-16/h16-18,20H,5-15H2,1-4H3
InChIKeyILMBBSNBCKJRKR-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds6

About 4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 115653405) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine
PubChem CID115653405
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCCC2CCN(C)CC2)CC1
InChIInChI=1S/C19H38N2/c1-5-19(2,3)17-6-8-18(9-7-17)20-13-10-16-11-14-21(4)15-12-16/h16-18,20H,5-15H2,1-4H3
InChIKeyILMBBSNBCKJRKR-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63448545
4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine
CID 114515181
N-(2-cyclobutylethyl)-1-methylpiperidin-4-amine
CID 115893453
N-[2-(1-methylpiperidin-4-yl)ethyl]cyclooctanamine
CID 115717422
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]ethanol
CID 43085230
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
CID 104859771
N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine
CID 115689075
N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 29033402
1-methyl-3-(2-methylbutan-2-yl)pyrrolidine
CID 129106499
N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 106675122
4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 61209081
1,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-amine
CID 115717377

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine (CID 115653405) is 4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine is CCC(C)(C)C1CCC(NCCC2CCN(C)CC2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is ILMBBSNBCKJRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-19(2,3)17-6-8-18(9-7-17)20-13-10-16-11-14-21(4)15-12-16/h16-18,20H,5-15H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 115653405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).