N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline

C17H24N4 — CID 66133608

IUPACN-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline
SMILESCCn1cncc1CNc1ccccc1CN1CCCC1
InChIInChI=1S/C17H24N4/c1-2-21-14-18-11-16(21)12-19-17-8-4-3-7-15(17)13-20-9-5-6-10-20/h3-4,7-8,11,14,19H,2,5-6,9-10,12-13H2,1H3
InChIKeyDEWPIIZRYNLXKQ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.11
Rot. Bonds6

About N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline

N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 66133608) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline
PubChem CID66133608
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline
SMILESCCn1cncc1CNc1ccccc1CN1CCCC1
InChIInChI=1S/C17H24N4/c1-2-21-14-18-11-16(21)12-19-17-8-4-3-7-15(17)13-20-9-5-6-10-20/h3-4,7-8,11,14,19H,2,5-6,9-10,12-13H2,1H3
InChIKeyDEWPIIZRYNLXKQ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-ylaniline
CID 66134412
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 66118638
1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine
CID 66118854
N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 66135063
N-[(3-ethylimidazol-4-yl)methyl]-2,3,4-trifluoroaniline
CID 66118850
N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 66117239
N-[(3-ethylimidazol-4-yl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 66133781
2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135192
3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine
CID 116783174
6-bromo-N-[(3-ethylimidazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 114050656
2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133336
4-bromo-2,3-dichloro-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 107787455

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline (CID 66133608) is N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline is CCn1cncc1CNc1ccccc1CN1CCCC1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is DEWPIIZRYNLXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-21-14-18-11-16(21)12-19-17-8-4-3-7-15(17)13-20-9-5-6-10-20/h3-4,7-8,11,14,19H,2,5-6,9-10,12-13H2,1H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline?
N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 284.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 66133608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).