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

C16H33N3 — CID 80692267

IUPAC3,3-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine
SMILESCN1CCN(C(C)(C)CNC2CCC(C)(C)C2)CC1
InChIInChI=1S/C16H33N3/c1-15(2)7-6-14(12-15)17-13-16(3,4)19-10-8-18(5)9-11-19/h14,17H,6-13H2,1-5H3
InChIKeyXHGAOGCJNOCFOH-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds4

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

3,3-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine (PubChem CID 80692267) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine
PubChem CID80692267
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name3,3-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine
SMILESCN1CCN(C(C)(C)CNC2CCC(C)(C)C2)CC1
InChIInChI=1S/C16H33N3/c1-15(2)7-6-14(12-15)17-13-16(3,4)19-10-8-18(5)9-11-19/h14,17H,6-13H2,1-5H3
InChIKeyXHGAOGCJNOCFOH-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine (CID 80692267) is 3,3-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine is CN1CCN(C(C)(C)CNC2CCC(C)(C)C2)CC1.
What is the InChIKey of 3,3-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine?
The InChIKey is XHGAOGCJNOCFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-15(2)7-6-14(12-15)17-13-16(3,4)19-10-8-18(5)9-11-19/h14,17H,6-13H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine?
3,3-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine is sourced from PubChem (CID 80692267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).