1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine

C17H24N4 — CID 62357775

IUPAC1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCCn1ccnc1CNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H24N4/c1-2-21-11-9-18-17(21)12-19-16-8-10-20(14-16)13-15-6-4-3-5-7-15/h3-7,9,11,16,19H,2,8,10,12-14H2,1H3
InChIKeyBGNFOAUSZZYOPE-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.27
Rot. Bonds6

About 1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine

1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 62357775) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID62357775
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCCn1ccnc1CNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H24N4/c1-2-21-11-9-18-17(21)12-19-16-8-10-20(14-16)13-15-6-4-3-5-7-15/h3-7,9,11,16,19H,2,8,10,12-14H2,1H3
InChIKeyBGNFOAUSZZYOPE-UHFFFAOYSA-N
XLogP2.27
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 62350120
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 61016801
1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783
(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 95606569
4-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine
CID 25287129
(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 30034860
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine
CID 115641638

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine (CID 62357775) is 1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine is CCn1ccnc1CNC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is BGNFOAUSZZYOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-21-11-9-18-17(21)12-19-16-8-10-20(14-16)13-15-6-4-3-5-7-15/h3-7,9,11,16,19H,2,8,10,12-14H2,1H3.
What are the key properties of 1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine?
1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 284.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 62357775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).