N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine

C12H19N3O — CID 66162475

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESc1ncn(C2CC2)c1CNCC1CCCO1
InChIInChI=1S/C12H19N3O/c1-2-12(16-5-1)8-13-6-11-7-14-9-15(11)10-3-4-10/h7,9-10,12-13H,1-6,8H2
InChIKeySRTVIRUCURAXMG-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.49
Rot. Bonds5

About N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 66162475) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID66162475
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESc1ncn(C2CC2)c1CNCC1CCCO1
InChIInChI=1S/C12H19N3O/c1-2-12(16-5-1)8-13-6-11-7-14-9-15(11)10-3-4-10/h7,9-10,12-13H,1-6,8H2
InChIKeySRTVIRUCURAXMG-UHFFFAOYSA-N
XLogP1.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 66135493
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295493
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43663218
N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66140601
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 114183327
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 100792161
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42281898
N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 122166158
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 122166065
N-[(1-ethylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124932139
1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol
CID 66139463

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 66162475) is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine is c1ncn(C2CC2)c1CNCC1CCCO1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is SRTVIRUCURAXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-12(16-5-1)8-13-6-11-7-14-9-15(11)10-3-4-10/h7,9-10,12-13H,1-6,8H2.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 66162475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).