N-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine

C13H23N3 — CID 66149126

IUPACN-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1C(CC)CC1CC1
InChIInChI=1S/C13H23N3/c1-3-12(7-11-5-6-11)16-10-15-9-13(16)8-14-4-2/h9-12,14H,3-8H2,1-2H3
InChIKeyQIXWPGMQJFIIAL-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.74
Rot. Bonds7

About N-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine

N-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine (PubChem CID 66149126) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine
PubChem CID66149126
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1C(CC)CC1CC1
InChIInChI=1S/C13H23N3/c1-3-12(7-11-5-6-11)16-10-15-9-13(16)8-14-4-2/h9-12,14H,3-8H2,1-2H3
InChIKeyQIXWPGMQJFIIAL-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol
CID 66152064
(1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine
CID 104943185
N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66151948
N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine
CID 66148577
N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 66151422
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66133237
N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
CID 79385761
4-[5-(ethylaminomethyl)imidazol-1-yl]-4-phenylbutan-1-ol
CID 18735190
1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130194
N-[(3-butan-2-ylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 66148790
2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 66118770
N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66152226

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine (CID 66149126) is N-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine is CCNCc1cncn1C(CC)CC1CC1.
What is the InChIKey of N-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is QIXWPGMQJFIIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-12(7-11-5-6-11)16-10-15-9-13(16)8-14-4-2/h9-12,14H,3-8H2,1-2H3.
What are the key properties of N-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine?
N-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66149126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).