[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

C12H19N3O — CID 114717405

IUPAC[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESNC(c1cncn1CC1CC1)C1CCOC1
InChIInChI=1S/C12H19N3O/c13-12(10-3-4-16-7-10)11-5-14-8-15(11)6-9-1-2-9/h5,8-10,12H,1-4,6-7,13H2
InChIKeyXCVQTANRUSJHQB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.33
Rot. Bonds4

About [3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 114717405) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID114717405
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESNC(c1cncn1CC1CC1)C1CCOC1
InChIInChI=1S/C12H19N3O/c13-12(10-3-4-16-7-10)11-5-14-8-15(11)6-9-1-2-9/h5,8-10,12H,1-4,6-7,13H2
InChIKeyXCVQTANRUSJHQB-UHFFFAOYSA-N
XLogP1.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718713
[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718342
[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 102909124
[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114715939
[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106901108
oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine
CID 114721830
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide
CID 114719199
(1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine
CID 104942924
(1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943087
(1S)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943084
[3-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720958
[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 103013049

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 114717405) is [3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is NC(c1cncn1CC1CC1)C1CCOC1.
What is the InChIKey of [3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is XCVQTANRUSJHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-12(10-3-4-16-7-10)11-5-14-8-15(11)6-9-1-2-9/h5,8-10,12H,1-4,6-7,13H2.
What are the key properties of [3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 114717405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).