1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine

C12H27N3 — CID 79658576

IUPAC1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)C1CN(C)CCN1C
InChIInChI=1S/C12H27N3/c1-10(2)5-6-11(13)12-9-14(3)7-8-15(12)4/h10-12H,5-9,13H2,1-4H3
InChIKeyLFYXTVGMGRIERL-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine

1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine (PubChem CID 79658576) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine
PubChem CID79658576
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)C1CN(C)CCN1C
InChIInChI=1S/C12H27N3/c1-10(2)5-6-11(13)12-9-14(3)7-8-15(12)4/h10-12H,5-9,13H2,1-4H3
InChIKeyLFYXTVGMGRIERL-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-2-methoxyethanamine
CID 79659006
1-(1,4-dimethylpiperazin-2-yl)-2-methylpropan-1-amine
CID 79659665
1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine
CID 79659340
1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine
CID 79658342
3-cyclopentyl-1-(1,4-dimethyl-1,4-diazepan-2-yl)propan-1-amine
CID 114192224
1-(1,4-dimethyl-1,4-diazepan-2-yl)-4-methoxybutan-1-amine
CID 114856805
1-(1,4-dimethylpiperazin-2-yl)-N,2,4-trimethylpentan-1-amine
CID 114284884
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine
CID 79659414
N-[2-(1,4-dimethylpiperazin-2-yl)ethyl]-N,2,5-trimethylhexan-1-amine
CID 142067796
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 79659585
1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine
CID 107896718

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine (CID 79658576) is 1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine is CC(C)CCC(N)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine?
The InChIKey is LFYXTVGMGRIERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-10(2)5-6-11(13)12-9-14(3)7-8-15(12)4/h10-12H,5-9,13H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine?
1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 79658576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).