3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine

C15H29N5 — CID 62350137

IUPAC3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine
SMILESCC(C)C(CNCc1nccn1C)N1CCN(C)CC1
InChIInChI=1S/C15H29N5/c1-13(2)14(20-9-7-18(3)8-10-20)11-16-12-15-17-5-6-19(15)4/h5-6,13-14,16H,7-12H2,1-4H3
InChIKeyMCDORQLNLDEMKX-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.78
Rot. Bonds6

About 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine

3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine (PubChem CID 62350137) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine
PubChem CID62350137
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine
SMILESCC(C)C(CNCc1nccn1C)N1CCN(C)CC1
InChIInChI=1S/C15H29N5/c1-13(2)14(20-9-7-18(3)8-10-20)11-16-12-15-17-5-6-19(15)4/h5-6,13-14,16H,7-12H2,1-4H3
InChIKeyMCDORQLNLDEMKX-UHFFFAOYSA-N
XLogP0.78
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol
CID 115644645
3-methyl-N-[(3-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 115652029
1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 103731677
methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate
CID 63295782
N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 63292117
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridin-4-amine
CID 61241411
2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine
CID 60761134
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine
CID 61253596
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfinylbutan-1-amine
CID 115711772

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine (CID 62350137) is 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine is CC(C)C(CNCc1nccn1C)N1CCN(C)CC1.
What is the InChIKey of 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine?
The InChIKey is MCDORQLNLDEMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-13(2)14(20-9-7-18(3)8-10-20)11-16-12-15-17-5-6-19(15)4/h5-6,13-14,16H,7-12H2,1-4H3.
What are the key properties of 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine?
3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 62350137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).