N-[(3-methylimidazol-4-yl)methyl]cyclopropanamine

C8H13N3 — CID 62998420

IUPACN-[(3-methylimidazol-4-yl)methyl]cyclopropanamine
SMILESCn1cncc1CNC1CC1
InChIInChI=1S/C8H13N3/c1-11-6-9-4-8(11)5-10-7-2-3-7/h4,6-7,10H,2-3,5H2,1H3
InChIKeyWUVGIYMNOOSWPH-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.67
Rot. Bonds3

About N-[(3-methylimidazol-4-yl)methyl]cyclopropanamine

N-[(3-methylimidazol-4-yl)methyl]cyclopropanamine (PubChem CID 62998420) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]cyclopropanamine
PubChem CID62998420
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]cyclopropanamine
SMILESCn1cncc1CNC1CC1
InChIInChI=1S/C8H13N3/c1-11-6-9-4-8(11)5-10-7-2-3-7/h4,6-7,10H,2-3,5H2,1H3
InChIKeyWUVGIYMNOOSWPH-UHFFFAOYSA-N
XLogP0.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylhistamine
CID 3614
3-Methylhistamine
CID 69520
1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
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N-ethylhistamine
CID 44292270
2-(1-Isopropyl-1H-imidazol-4-yl)ethanamine
CID 585835
N(tele)-methylhistaminium
CID 25245502
2-(1-Isopropyl-1H-imidazol-5-yl)ethanamine
CID 18722276
1-(1H-Imidazol-5-yl)methanamine
CID 12408174
1-Methyl-5-aminomethylimidazole
CID 2795424
1,5-dimethyl-1H-imidazol-2-amine hydrochloride
CID 12348472
2-(1-Allyl-1H-imidazol-4-yl)ethanamine
CID 44292444

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]cyclopropanamine (CID 62998420) is N-[(3-methylimidazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]cyclopropanamine is Cn1cncc1CNC1CC1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]cyclopropanamine?
The InChIKey is WUVGIYMNOOSWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-11-6-9-4-8(11)5-10-7-2-3-7/h4,6-7,10H,2-3,5H2,1H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]cyclopropanamine?
N-[(3-methylimidazol-4-yl)methyl]cyclopropanamine has a molecular weight of 151.21 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62998420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).