4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine

C17H34N2 — CID 62615514

IUPAC4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1CCN(CC2CC(C(C)(C)C)CCC2N)CC1
InChIInChI=1S/C17H34N2/c1-13-7-9-19(10-8-13)12-14-11-15(17(2,3)4)5-6-16(14)18/h13-16H,5-12,18H2,1-4H3
InChIKeyVFBHBYJARVDNQK-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.51
Rot. Bonds2

About 4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine

4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 62615514) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID62615514
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1CCN(CC2CC(C(C)(C)C)CCC2N)CC1
InChIInChI=1S/C17H34N2/c1-13-7-9-19(10-8-13)12-14-11-15(17(2,3)4)5-6-16(14)18/h13-16H,5-12,18H2,1-4H3
InChIKeyVFBHBYJARVDNQK-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-amino-5-tert-butylcyclohexyl)methyl]piperidin-4-ol
CID 62614983
1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol
CID 62943220
1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol
CID 106674063
4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62974601
4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine
CID 62611169
4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]cyclohexan-1-amine
CID 62616805
4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 63623585
4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 102886488
2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
CID 63624498
4-methyl-2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine
CID 114272008
6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine
CID 86198223
4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 62609534

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine (CID 62615514) is 4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine is CC1CCN(CC2CC(C(C)(C)C)CCC2N)CC1.
What is the InChIKey of 4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is VFBHBYJARVDNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13-7-9-19(10-8-13)12-14-11-15(17(2,3)4)5-6-16(14)18/h13-16H,5-12,18H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine?
4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.51, 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-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62615514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).