3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine

C11H25N3 — CID 79814472

IUPAC3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine
SMILESCCC(N)(CC)CN1CCN(C)CC1
InChIInChI=1S/C11H25N3/c1-4-11(12,5-2)10-14-8-6-13(3)7-9-14/h4-10,12H2,1-3H3
InChIKeyMSVXNZLDPVKGBF-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.75
Rot. Bonds4

About 3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine

3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine (PubChem CID 79814472) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine
PubChem CID79814472
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine
SMILESCCC(N)(CC)CN1CCN(C)CC1
InChIInChI=1S/C11H25N3/c1-4-11(12,5-2)10-14-8-6-13(3)7-9-14/h4-10,12H2,1-3H3
InChIKeyMSVXNZLDPVKGBF-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine (CID 79814472) is 3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine is CCC(N)(CC)CN1CCN(C)CC1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine?
The InChIKey is MSVXNZLDPVKGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-4-11(12,5-2)10-14-8-6-13(3)7-9-14/h4-10,12H2,1-3H3.
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine?
3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine is sourced from PubChem (CID 79814472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).