N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine

C16H33N3 — CID 80551419

IUPACN-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine
SMILESCN(CC(C)(C)N1CCNCC1)C1CCCCCC1
InChIInChI=1S/C16H33N3/c1-16(2,19-12-10-17-11-13-19)14-18(3)15-8-6-4-5-7-9-15/h15,17H,4-14H2,1-3H3
InChIKeyWYOQJRGRDLEIFC-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds4

About N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine

N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine (PubChem CID 80551419) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine
PubChem CID80551419
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine
SMILESCN(CC(C)(C)N1CCNCC1)C1CCCCCC1
InChIInChI=1S/C16H33N3/c1-16(2,19-12-10-17-11-13-19)14-18(3)15-8-6-4-5-7-9-15/h15,17H,4-14H2,1-3H3
InChIKeyWYOQJRGRDLEIFC-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine?
The IUPAC name of N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine (CID 80551419) is N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine.
What is the SMILES notation for N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine?
The canonical SMILES for N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine is CN(CC(C)(C)N1CCNCC1)C1CCCCCC1.
What is the InChIKey of N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine?
The InChIKey is WYOQJRGRDLEIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-16(2,19-12-10-17-11-13-19)14-18(3)15-8-6-4-5-7-9-15/h15,17H,4-14H2,1-3H3.
What are the key properties of N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine?
N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine is sourced from PubChem (CID 80551419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).