N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine

C12H21N3O — CID 65172064

IUPACN-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
SMILESCOCCCn1c(CNC2CC2)cnc1C
InChIInChI=1S/C12H21N3O/c1-10-13-8-12(9-14-11-4-5-11)15(10)6-3-7-16-2/h8,11,14H,3-7,9H2,1-2H3
InChIKeyIJLBLQJPNKVGKY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.48
Rot. Bonds7

About N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine

N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine (PubChem CID 65172064) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
PubChem CID65172064
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
SMILESCOCCCn1c(CNC2CC2)cnc1C
InChIInChI=1S/C12H21N3O/c1-10-13-8-12(9-14-11-4-5-11)15(10)6-3-7-16-2/h8,11,14H,3-7,9H2,1-2H3
InChIKeyIJLBLQJPNKVGKY-UHFFFAOYSA-N
XLogP1.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2-methoxyethyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172121
N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106458362
N-[[3-(3,3-dimethylbutyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171713
N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine
CID 65172120
N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 65171918
N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 65172275
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103413583
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
N-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 65172293
N-[[3-(4,4-dimethylpent-2-ynyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 114190461
N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114097853
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524754

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine (CID 65172064) is N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine is COCCCn1c(CNC2CC2)cnc1C.
What is the InChIKey of N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is IJLBLQJPNKVGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-13-8-12(9-14-11-4-5-11)15(10)6-3-7-16-2/h8,11,14H,3-7,9H2,1-2H3.
What are the key properties of N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine?
N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 223.32 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65172064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).