[1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine

C16H32N2 — CID 65085773

IUPAC[1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(C2CCCC(C)(C)CC2)C1CN
InChIInChI=1S/C16H32N2/c1-13-6-5-11-18(15(13)12-17)14-7-4-9-16(2,3)10-8-14/h13-15H,4-12,17H2,1-3H3
InChIKeyZTZBVMWOGCJMJD-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds2

About [1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine

[1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine (PubChem CID 65085773) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine
PubChem CID65085773
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(C2CCCC(C)(C)CC2)C1CN
InChIInChI=1S/C16H32N2/c1-13-6-5-11-18(15(13)12-17)14-7-4-9-16(2,3)10-8-14/h13-15H,4-12,17H2,1-3H3
InChIKeyZTZBVMWOGCJMJD-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine (CID 65085773) is [1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine is CC1CCCN(C2CCCC(C)(C)CC2)C1CN.
What is the InChIKey of [1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine?
The InChIKey is ZTZBVMWOGCJMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13-6-5-11-18(15(13)12-17)14-7-4-9-16(2,3)10-8-14/h13-15H,4-12,17H2,1-3H3.
What are the key properties of [1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine?
[1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4-dimethylcycloheptyl)-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 65085773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).