2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine

C12H28N4 — CID 103387653

IUPAC2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine
SMILESCC(CN)NCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C12H28N4/c1-11(9-13)14-10-12(2,3)16-7-5-15(4)6-8-16/h11,14H,5-10,13H2,1-4H3
InChIKeyPXSQJPZGSGMHCR-UHFFFAOYSA-N
MW228.38 g/mol
LogP-0.05
Rot. Bonds5

About 2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine

2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine (PubChem CID 103387653) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine
PubChem CID103387653
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine
SMILESCC(CN)NCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C12H28N4/c1-11(9-13)14-10-12(2,3)16-7-5-15(4)6-8-16/h11,14H,5-10,13H2,1-4H3
InChIKeyPXSQJPZGSGMHCR-UHFFFAOYSA-N
XLogP-0.05
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Isopropylpiperazine
CID 78013
1-(2-Methylpropyl)piperazine
CID 2052052
Dimethylpiperazine
CID 198037
2,3,5,6-Tetramethylpiperazine
CID 521970
1,2,2-Trimethylpiperazine
CID 21973776
1,2,2,6,6-Pentamethylpiperazine
CID 114362
2,2,6,6-Tetramethylpiperazine
CID 12700823
2,2-Dimethylpiperazine
CID 14664186
1-(4-Methylpiperazin-1-yl)propan-2-amine
CID 16643482
1-(Butan-2-yl)piperazine
CID 2735696
1-(2-Diisopropylaminoethyl)piperazine
CID 2736173
2-(4-Methylpiperazin-1-yl)propan-1-amine
CID 16641457

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine?
The IUPAC name of 2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine (CID 103387653) is 2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine is CC(CN)NCC(C)(C)N1CCN(C)CC1.
What is the InChIKey of 2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine?
The InChIKey is PXSQJPZGSGMHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-11(9-13)14-10-12(2,3)16-7-5-15(4)6-8-16/h11,14H,5-10,13H2,1-4H3.
What are the key properties of 2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine?
2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine is sourced from PubChem (CID 103387653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).