N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine

C13H19N5 — CID 66162541

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CCNCc1cncn1C1CC1
InChIInChI=1S/C13H19N5/c1-17-7-6-16-13(17)4-5-14-8-12-9-15-10-18(12)11-2-3-11/h6-7,9-11,14H,2-5,8H2,1H3
InChIKeyJDVYKHKXEJKOSR-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.28
Rot. Bonds6

About N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine

N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 66162541) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID66162541
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CCNCc1cncn1C1CC1
InChIInChI=1S/C13H19N5/c1-17-7-6-16-13(17)4-5-14-8-12-9-15-10-18(12)11-2-3-11/h6-7,9-11,14H,2-5,8H2,1H3
InChIKeyJDVYKHKXEJKOSR-UHFFFAOYSA-N
XLogP1.28
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 114183327
1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237108
N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
CID 66162278
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 66139811
N-[(3-cyclopropylimidazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 114126843
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-3-ylethanamine
CID 66140786
N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine
CID 66163065
N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide
CID 79394815
2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 61214868
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536380
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66140601
N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine
CID 66140393

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine (CID 66162541) is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1CCNCc1cncn1C1CC1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is JDVYKHKXEJKOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-17-7-6-16-13(17)4-5-14-8-12-9-15-10-18(12)11-2-3-11/h6-7,9-11,14H,2-5,8H2,1H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 66162541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).