N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-3-ylmethyl)cyclopropanamine

C13H21N3O — CID 50963983

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-3-ylmethyl)cyclopropanamine
SMILESCn1ccnc1CN(CC1CCOC1)C1CC1
InChIInChI=1S/C13H21N3O/c1-15-6-5-14-13(15)9-16(12-2-3-12)8-11-4-7-17-10-11/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyJYZBKHVPOGSLQZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.42
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-3-ylmethyl)cyclopropanamine

N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-3-ylmethyl)cyclopropanamine (PubChem CID 50963983) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-3-ylmethyl)cyclopropanamine
PubChem CID50963983
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-3-ylmethyl)cyclopropanamine
SMILESCn1ccnc1CN(CC1CCOC1)C1CC1
InChIInChI=1S/C13H21N3O/c1-15-6-5-14-13(15)9-16(12-2-3-12)8-11-4-7-17-10-11/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyJYZBKHVPOGSLQZ-UHFFFAOYSA-N
XLogP1.42
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2r)-N,N-Dimethyl-4-(1-Methylimidazol-2-Yl)oxy-Butan-2-Amine
CID 70701321
1-[(oxolan-3-yl)methyl]-1H-imidazole
CID 60964531
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-[2-(tetrahydro-3-furanyl)ethyl]piperidine
CID 70740839
4-(1-methyl-1H-imidazol-2-yl)-1-[2-(tetrahydro-3-furanyl)ethyl]piperidine
CID 70751123
(4S)-3-[(1-cyclopropyl-1H-imidazol-2-yl)methyl]-4-isopropyl-1,3-oxazolidin-2-one
CID 72905228
8-(Cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118745157
2-(2-Methoxyethyl)ethyl-1h-imidazole
CID 22409056
2-[Cyclopropylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 72024746
1-(1-cyclopropyl-1H-imidazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 91829896
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 124616644
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 125522105
3-(2-ethylimidazol-1-yl)-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]propanamide
CID 129619683

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-3-ylmethyl)cyclopropanamine (CID 50963983) is N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-3-ylmethyl)cyclopropanamine is Cn1ccnc1CN(CC1CCOC1)C1CC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-3-ylmethyl)cyclopropanamine?
The InChIKey is JYZBKHVPOGSLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15-6-5-14-13(15)9-16(12-2-3-12)8-11-4-7-17-10-11/h5-6,11-12H,2-4,7-10H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-3-ylmethyl)cyclopropanamine?
N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-3-ylmethyl)cyclopropanamine has a molecular weight of 235.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 50963983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).