2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

C15H28N4 — CID 66162182

IUPAC2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1cncn1C(C)C)CN1CCCC1
InChIInChI=1S/C15H28N4/c1-13(2)19-12-17-10-15(19)9-16-8-14(3)11-18-6-4-5-7-18/h10,12-14,16H,4-9,11H2,1-3H3
InChIKeyWVBWQMWJWFFATO-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.29
Rot. Bonds7

About 2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 66162182) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID66162182
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1cncn1C(C)C)CN1CCCC1
InChIInChI=1S/C15H28N4/c1-13(2)19-12-17-10-15(19)9-16-8-14(3)11-18-6-4-5-7-18/h10,12-14,16H,4-9,11H2,1-3H3
InChIKeyWVBWQMWJWFFATO-UHFFFAOYSA-N
XLogP2.29
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 66164185
2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62993045
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62993213
2-methyl-N-[[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66146334
2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine
CID 66131875
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 66443633
N-[(5-fluoro-3-pyridinyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 104953477
1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 66164576
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115767635
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62991020
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61222270

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 66162182) is 2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is CC(CNCc1cncn1C(C)C)CN1CCCC1.
What is the InChIKey of 2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is WVBWQMWJWFFATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-13(2)19-12-17-10-15(19)9-16-8-14(3)11-18-6-4-5-7-18/h10,12-14,16H,4-9,11H2,1-3H3.
What are the key properties of 2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 66162182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).