(4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine

C16H32N2 — CID 43293404

IUPAC(4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine
SMILESCC(C)(C)C1CCC(CN)C(N2CCCCC2)C1
InChIInChI=1S/C16H32N2/c1-16(2,3)14-8-7-13(12-17)15(11-14)18-9-5-4-6-10-18/h13-15H,4-12,17H2,1-3H3
InChIKeyFKNJQTSTWLWHNA-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds2

About (4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine

(4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine (PubChem CID 43293404) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is (4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine
PubChem CID43293404
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name(4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine
SMILESCC(C)(C)C1CCC(CN)C(N2CCCCC2)C1
InChIInChI=1S/C16H32N2/c1-16(2,3)14-8-7-13(12-17)15(11-14)18-9-5-4-6-10-18/h13-15H,4-12,17H2,1-3H3
InChIKeyFKNJQTSTWLWHNA-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol
CID 62941504
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one
CID 43329379
[2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine
CID 81005227
(4-ethyl-2-piperidin-1-ylcyclohexyl)methanamine
CID 43293406
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol
CID 114678018
[4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 63404551
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1,4-diazepan-5-one
CID 63003557
[2-(azepan-1-yl)cyclopentyl]methanamine
CID 43293383
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]azepane-2,7-dione
CID 43519473
[4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 63403927
2-(azepan-1-yl)-4-tert-butyl-N-propylcyclohexan-1-amine
CID 63466548
[4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol
CID 102932236

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine?
The IUPAC name of (4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine (CID 43293404) is (4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine.
What is the SMILES notation for (4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine?
The canonical SMILES for (4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine is CC(C)(C)C1CCC(CN)C(N2CCCCC2)C1.
What is the InChIKey of (4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine?
The InChIKey is FKNJQTSTWLWHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-16(2,3)14-8-7-13(12-17)15(11-14)18-9-5-4-6-10-18/h13-15H,4-12,17H2,1-3H3.
What are the key properties of (4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine?
(4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine is sourced from PubChem (CID 43293404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).