1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine

C17H34N2 — CID 79880572

IUPAC1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine
SMILESCC1CN(C2CCCC(C(C)(C)C)CC2)CCC1N
InChIInChI=1S/C17H34N2/c1-13-12-19(11-10-16(13)18)15-7-5-6-14(8-9-15)17(2,3)4/h13-16H,5-12,18H2,1-4H3
InChIKeyMJSJNVFGTHSNHO-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds1

About 1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine

1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine (PubChem CID 79880572) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine
PubChem CID79880572
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine
SMILESCC1CN(C2CCCC(C(C)(C)C)CC2)CCC1N
InChIInChI=1S/C17H34N2/c1-13-12-19(11-10-16(13)18)15-7-5-6-14(8-9-15)17(2,3)4/h13-16H,5-12,18H2,1-4H3
InChIKeyMJSJNVFGTHSNHO-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
CID 114960180
[1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine
CID 65095184
(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-amine
CID 124709446
3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-4-amine
CID 79880685
1-cyclooctyl-4-methylpyrrolidin-3-amine
CID 103575307
2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine
CID 65094826
1,4-ditert-butylcycloheptane
CID 58579546
(3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine
CID 134195627
1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 166559632
4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine
CID 114763379
3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride
CID 176957482
3-tert-butyl-1-cyclohexylazetidine
CID 122606400

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine?
The IUPAC name of 1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine (CID 79880572) is 1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine is CC1CN(C2CCCC(C(C)(C)C)CC2)CCC1N.
What is the InChIKey of 1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine?
The InChIKey is MJSJNVFGTHSNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13-12-19(11-10-16(13)18)15-7-5-6-14(8-9-15)17(2,3)4/h13-16H,5-12,18H2,1-4H3.
What are the key properties of 1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine?
1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 79880572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).