N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine

C14H22N4 — CID 79101579

IUPACN-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1Cc1cncn1C
InChIInChI=1S/C14H22N4/c1-4-7-16-12(2)14-6-5-8-18(14)10-13-9-15-11-17(13)3/h5-6,8-9,11-12,16H,4,7,10H2,1-3H3
InChIKeyKOIDWDDPJJGFRH-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.33
Rot. Bonds6

About N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine

N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine (PubChem CID 79101579) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
PubChem CID79101579
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1Cc1cncn1C
InChIInChI=1S/C14H22N4/c1-4-7-16-12(2)14-6-5-8-18(14)10-13-9-15-11-17(13)3/h5-6,8-9,11-12,16H,4,7,10H2,1-3H3
InChIKeyKOIDWDDPJJGFRH-UHFFFAOYSA-N
XLogP2.33
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102051
N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine
CID 79108703
2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79097821
N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79102768
N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79108705
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine
CID 66403106
N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79101774
N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79101978
N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 82892118
3-[[2-[1-(propylamino)ethyl]pyrrol-1-yl]methyl]benzonitrile
CID 79102578
N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79103070
N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 104792966

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine (CID 79101579) is N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1cccn1Cc1cncn1C.
What is the InChIKey of N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The InChIKey is KOIDWDDPJJGFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-7-16-12(2)14-6-5-8-18(14)10-13-9-15-11-17(13)3/h5-6,8-9,11-12,16H,4,7,10H2,1-3H3.
What are the key properties of N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine has a molecular weight of 246.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79101579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).