3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine

C15H32N4 — CID 79461682

IUPAC3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine
SMILESCC(C)C(CNC1CCC(N)C1)N1CCN(C)CC1
InChIInChI=1S/C15H32N4/c1-12(2)15(19-8-6-18(3)7-9-19)11-17-14-5-4-13(16)10-14/h12-15,17H,4-11,16H2,1-3H3
InChIKeyBBPAFVZDWPHGRU-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.73
Rot. Bonds5

About 3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine

3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine (PubChem CID 79461682) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine
PubChem CID79461682
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine
SMILESCC(C)C(CNC1CCC(N)C1)N1CCN(C)CC1
InChIInChI=1S/C15H32N4/c1-12(2)15(19-8-6-18(3)7-9-19)11-17-14-5-4-13(16)10-14/h12-15,17H,4-11,16H2,1-3H3
InChIKeyBBPAFVZDWPHGRU-UHFFFAOYSA-N
XLogP0.73
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine (CID 79461682) is 3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine is CC(C)C(CNC1CCC(N)C1)N1CCN(C)CC1.
What is the InChIKey of 3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine?
The InChIKey is BBPAFVZDWPHGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-12(2)15(19-8-6-18(3)7-9-19)11-17-14-5-4-13(16)10-14/h12-15,17H,4-11,16H2,1-3H3.
What are the key properties of 3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine?
3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine has a molecular weight of 268.45 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79461682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).