N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine

C15H31N3 — CID 43329366

IUPACN-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)C2CCCCCC2CN)CC1
InChIInChI=1S/C15H31N3/c1-17-10-8-14(9-11-17)18(2)15-7-5-3-4-6-13(15)12-16/h13-15H,3-12,16H2,1-2H3
InChIKeyFKBFBDZBDBECBI-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds3

About N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine

N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 43329366) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine
PubChem CID43329366
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)C2CCCCCC2CN)CC1
InChIInChI=1S/C15H31N3/c1-17-10-8-14(9-11-17)18(2)15-7-5-3-4-6-13(15)12-16/h13-15H,3-12,16H2,1-2H3
InChIKeyFKBFBDZBDBECBI-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine (CID 43329366) is N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)C2CCCCCC2CN)CC1.
What is the InChIKey of N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is FKBFBDZBDBECBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-17-10-8-14(9-11-17)18(2)15-7-5-3-4-6-13(15)12-16/h13-15H,3-12,16H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine?
N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 43329366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).