N-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine

C14H23N3O — CID 124757448

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine
SMILESCn1ccnc1CN(C[C@@H]1CCCOC1)C1CC1
InChIInChI=1S/C14H23N3O/c1-16-7-6-15-14(16)10-17(13-4-5-13)9-12-3-2-8-18-11-12/h6-7,12-13H,2-5,8-11H2,1H3/t12-/m0/s1
InChIKeyWKBSNKGZOMZBKX-LBPRGKRZSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine

N-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine (PubChem CID 124757448) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine
PubChem CID124757448
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine
SMILESCn1ccnc1CN(C[C@@H]1CCCOC1)C1CC1
InChIInChI=1S/C14H23N3O/c1-16-7-6-15-14(16)10-17(13-4-5-13)9-12-3-2-8-18-11-12/h6-7,12-13H,2-5,8-11H2,1H3/t12-/m0/s1
InChIKeyWKBSNKGZOMZBKX-LBPRGKRZSA-N
XLogP1.81
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 91836795
N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 77092489
N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine
CID 122158285
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 119064859
2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531207
N-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 50972306
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 56705149
2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531217
N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125167730
N-[(1-methylimidazol-2-yl)methyl]-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]cyclopropanamine
CID 91834125
4-[[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]methyl]aniline
CID 114528265
3-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 63727442

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine (CID 124757448) is N-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine is Cn1ccnc1CN(C[C@@H]1CCCOC1)C1CC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine?
The InChIKey is WKBSNKGZOMZBKX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-7-6-15-14(16)10-17(13-4-5-13)9-12-3-2-8-18-11-12/h6-7,12-13H,2-5,8-11H2,1H3/t12-/m0/s1.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine?
N-[(1-methylimidazol-2-yl)methyl]-N-[[(3S)-oxan-3-yl]methyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 1.81, 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-[[(3S)-oxan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 124757448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).