2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine

C16H31N5 — CID 66134790

IUPAC2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCn1cncc1CNCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C16H31N5/c1-5-6-20-14-18-12-15(20)11-17-13-16(2,3)21-9-7-19(4)8-10-21/h12,14,17H,5-11,13H2,1-4H3
InChIKeyILTDDVNXNHGZMO-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.41
Rot. Bonds7

About 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine

2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 66134790) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
PubChem CID66134790
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCn1cncc1CNCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C16H31N5/c1-5-6-20-14-18-12-15(20)11-17-13-16(2,3)21-9-7-19(4)8-10-21/h12,14,17H,5-11,13H2,1-4H3
InChIKeyILTDDVNXNHGZMO-UHFFFAOYSA-N
XLogP1.41
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66413668
N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide
CID 114167185
N-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 55109545
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
N-[(3-propylimidazol-4-yl)methyl]piperidin-1-amine
CID 83007579
N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine
CID 66129391
N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 66133760
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142
N-[(3-propylimidazol-4-yl)methyl]but-3-yn-1-amine
CID 66130391
1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 66135408
1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 66129392

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine (CID 66134790) is 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine is CCCn1cncc1CNCC(C)(C)N1CCN(C)CC1.
What is the InChIKey of 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is ILTDDVNXNHGZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-5-6-20-14-18-12-15(20)11-17-13-16(2,3)21-9-7-19(4)8-10-21/h12,14,17H,5-11,13H2,1-4H3.
What are the key properties of 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine?
2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 293.46 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 66134790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).