2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine

C17H35N3 — CID 79860281

IUPAC2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine
SMILESCC(C)C(CNC1CCCC1(C)C)N1CCN(C)CC1
InChIInChI=1S/C17H35N3/c1-14(2)15(20-11-9-19(5)10-12-20)13-18-16-7-6-8-17(16,3)4/h14-16,18H,6-13H2,1-5H3
InChIKeyGMUNAEINPZDZFG-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.43
Rot. Bonds5

About 2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine

2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine (PubChem CID 79860281) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine
PubChem CID79860281
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine
SMILESCC(C)C(CNC1CCCC1(C)C)N1CCN(C)CC1
InChIInChI=1S/C17H35N3/c1-14(2)15(20-11-9-19(5)10-12-20)13-18-16-7-6-8-17(16,3)4/h14-16,18H,6-13H2,1-5H3
InChIKeyGMUNAEINPZDZFG-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine (CID 79860281) is 2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine is CC(C)C(CNC1CCCC1(C)C)N1CCN(C)CC1.
What is the InChIKey of 2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine?
The InChIKey is GMUNAEINPZDZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-14(2)15(20-11-9-19(5)10-12-20)13-18-16-7-6-8-17(16,3)4/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine?
2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentan-1-amine is sourced from PubChem (CID 79860281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).