N-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine

C15H28N4 — CID 66148610

IUPACN-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCN1CCC(Cn2cncc2CNC(C)(C)C)C1
InChIInChI=1S/C15H28N4/c1-5-18-7-6-13(10-18)11-19-12-16-8-14(19)9-17-15(2,3)4/h8,12-13,17H,5-7,9-11H2,1-4H3
InChIKeyITQWZCDVBWBACK-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.11
Rot. Bonds5

About N-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66148610) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66148610
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCN1CCC(Cn2cncc2CNC(C)(C)C)C1
InChIInChI=1S/C15H28N4/c1-5-18-7-6-13(10-18)11-19-12-16-8-14(19)9-17-15(2,3)4/h8,12-13,17H,5-7,9-11H2,1-4H3
InChIKeyITQWZCDVBWBACK-UHFFFAOYSA-N
XLogP2.11
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine
CID 114704323
N-[(3-ethylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 66133618
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275
1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 66149073
N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150946
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 66133411
2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150352
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147976
N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66148807
1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760477
4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide
CID 79401031
N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine
CID 124682664

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66148610) is N-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is CCN1CCC(Cn2cncc2CNC(C)(C)C)C1.
What is the InChIKey of N-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ITQWZCDVBWBACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-18-7-6-13(10-18)11-19-12-16-8-14(19)9-17-15(2,3)4/h8,12-13,17H,5-7,9-11H2,1-4H3.
What are the key properties of N-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 264.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66148610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).