[1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine

C17H34N2 — CID 65095184

IUPAC[1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine
SMILESCC(C)(C)C1CCCC(N2CCCC(CN)C2)CC1
InChIInChI=1S/C17H34N2/c1-17(2,3)15-7-4-8-16(10-9-15)19-11-5-6-14(12-18)13-19/h14-16H,4-13,18H2,1-3H3
InChIKeyYFSBUWXMTZCFHJ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds2

About [1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine

[1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine (PubChem CID 65095184) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is [1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine
PubChem CID65095184
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name[1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine
SMILESCC(C)(C)C1CCCC(N2CCCC(CN)C2)CC1
InChIInChI=1S/C17H34N2/c1-17(2,3)15-7-4-8-16(10-9-15)19-11-5-6-14(12-18)13-19/h14-16H,4-13,18H2,1-3H3
InChIKeyYFSBUWXMTZCFHJ-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine?
The IUPAC name of [1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine (CID 65095184) is [1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine?
The canonical SMILES for [1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine is CC(C)(C)C1CCCC(N2CCCC(CN)C2)CC1.
What is the InChIKey of [1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine?
The InChIKey is YFSBUWXMTZCFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-17(2,3)15-7-4-8-16(10-9-15)19-11-5-6-14(12-18)13-19/h14-16H,4-13,18H2,1-3H3.
What are the key properties of [1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine?
[1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 65095184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).