N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

C12H22N4 — CID 62993213

IUPACN-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1cnc[nH]1)CN1CCCC1
InChIInChI=1S/C12H22N4/c1-11(9-16-4-2-3-5-16)6-13-7-12-8-14-10-15-12/h8,10-11,13H,2-7,9H2,1H3,(H,14,15)
InChIKeySFJXQITUOBZSFX-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.23
Rot. Bonds6

About N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 62993213) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID62993213
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1cnc[nH]1)CN1CCCC1
InChIInChI=1S/C12H22N4/c1-11(9-16-4-2-3-5-16)6-13-7-12-8-14-10-15-12/h8,10-11,13H,2-7,9H2,1H3,(H,14,15)
InChIKeySFJXQITUOBZSFX-UHFFFAOYSA-N
XLogP1.23
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63965505
N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 115607122
2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 66162182
N-[(5-fluoro-3-pyridinyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 104953477
1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62761952
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115767635
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61222270
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
CID 115655102
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 60962271
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 66443633
1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
CID 174338495
N-(1H-indol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 102910856

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (CID 62993213) is N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is CC(CNCc1cnc[nH]1)CN1CCCC1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is SFJXQITUOBZSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-11(9-16-4-2-3-5-16)6-13-7-12-8-14-10-15-12/h8,10-11,13H,2-7,9H2,1H3,(H,14,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 62993213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).