[4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine

C18H36N2 — CID 43080296

IUPAC[4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)(N2CCCCC2C)CC1
InChIInChI=1S/C18H36N2/c1-5-17(3,4)16-9-11-18(14-19,12-10-16)20-13-7-6-8-15(20)2/h15-16H,5-14,19H2,1-4H3
InChIKeyAQXVWQQKXNGTHP-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.18
Rot. Bonds4

About [4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine

[4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine (PubChem CID 43080296) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
PubChem CID43080296
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name[4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)(N2CCCCC2C)CC1
InChIInChI=1S/C18H36N2/c1-5-17(3,4)16-9-11-18(14-19,12-10-16)20-13-7-6-8-15(20)2/h15-16H,5-14,19H2,1-4H3
InChIKeyAQXVWQQKXNGTHP-UHFFFAOYSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43176277
[1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 24697145
[4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 63471161
[1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
CID 65089102
[1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 43080101
[3,4-dimethyl-1-(2-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64746034
[3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine
CID 106821667
[3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 63162443
[1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
CID 81467694
[4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine
CID 65090041
[1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755313
2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid
CID 64527604

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine (CID 43080296) is [4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)(N2CCCCC2C)CC1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine?
The InChIKey is AQXVWQQKXNGTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-17(3,4)16-9-11-18(14-19,12-10-16)20-13-7-6-8-15(20)2/h15-16H,5-14,19H2,1-4H3.
What are the key properties of [4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine has a molecular weight of 280.50 g/mol, XLogP of 4.18, 4 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)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 43080296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).