1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine

C13H22N2O — CID 62405925

IUPAC1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1cnoc1)C1CCCCC1
InChIInChI=1S/C13H22N2O/c1-2-13(12-6-4-3-5-7-12)14-8-11-9-15-16-10-11/h9-10,12-14H,2-8H2,1H3
InChIKeyLABAKRZFTOYJKD-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.12
Rot. Bonds5

About 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine

1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine (PubChem CID 62405925) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine
PubChem CID62405925
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1cnoc1)C1CCCCC1
InChIInChI=1S/C13H22N2O/c1-2-13(12-6-4-3-5-7-12)14-8-11-9-15-16-10-11/h9-10,12-14H,2-8H2,1H3
InChIKeyLABAKRZFTOYJKD-UHFFFAOYSA-N
XLogP3.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437768
N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine
CID 63478195
1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 63478547
6-[(1-cyclohexylpropylamino)methyl]pyridin-3-ol
CID 79793819
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
2-methyl-N-(1,2-oxazol-4-ylmethyl)cyclohexan-1-amine
CID 60870943
1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 64920356
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine
CID 63476288
1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 78921262
4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol
CID 62405202
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine
CID 63476465

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine (CID 62405925) is 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine is CCC(NCc1cnoc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine?
The InChIKey is LABAKRZFTOYJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-13(12-6-4-3-5-7-12)14-8-11-9-15-16-10-11/h9-10,12-14H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine?
1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 62405925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).