N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine

C15H24N4 — CID 66403216

IUPACN-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccn1CCCn1ccnc1
InChIInChI=1S/C15H24N4/c1-14(2)11-17-12-15-5-3-8-19(15)9-4-7-18-10-6-16-13-18/h3,5-6,8,10,13-14,17H,4,7,9,11-12H2,1-2H3
InChIKeyDYNXOCWDINLQAL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.52
Rot. Bonds8

About N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66403216) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID66403216
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccn1CCCn1ccnc1
InChIInChI=1S/C15H24N4/c1-14(2)11-17-12-15-5-3-8-19(15)9-4-7-18-10-6-16-13-18/h3,5-6,8,10,13-14,17H,4,7,9,11-12H2,1-2H3
InChIKeyDYNXOCWDINLQAL-UHFFFAOYSA-N
XLogP2.52
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine
CID 66443821
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol
CID 66402617
N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine
CID 66413353
(2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol
CID 103884133
N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402249
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]propan-1-amine
CID 66403801
3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one
CID 114761432
2-methyl-N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66400862
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402822
2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66402434
N-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402051
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine (CID 66403216) is N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccn1CCCn1ccnc1.
What is the InChIKey of N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is DYNXOCWDINLQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-14(2)11-17-12-15-5-3-8-19(15)9-4-7-18-10-6-16-13-18/h3,5-6,8,10,13-14,17H,4,7,9,11-12H2,1-2H3.
What are the key properties of N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66403216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).