N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

C15H26N2O — CID 107185134

IUPACN-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(C2CCCC2(C)C)o1
InChIInChI=1S/C15H26N2O/c1-4-9-16-10-7-14-17-11-13(18-14)12-6-5-8-15(12,2)3/h11-12,16H,4-10H2,1-3H3
InChIKeyOJUVOBAYVXFKJA-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.51
Rot. Bonds6

About N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 107185134) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID107185134
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(C2CCCC2(C)C)o1
InChIInChI=1S/C15H26N2O/c1-4-9-16-10-7-14-17-11-13(18-14)12-6-5-8-15(12,2)3/h11-12,16H,4-10H2,1-3H3
InChIKeyOJUVOBAYVXFKJA-UHFFFAOYSA-N
XLogP3.51
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81933241
2-methoxy-N-[[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]ethanamine
CID 81933242
N-[1-[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81933244
N-[1-[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81933245
N-[2-[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81933246
N-[2-[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81933247
2-methyl-N-[[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 81933295
2-methyl-N-[[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 81933296
2-methyl-N-[[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81933336
N-[2-[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 81933340
N-[2-[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 81933341
N-[2-[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 81933362

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 107185134) is N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNCCc1ncc(C2CCCC2(C)C)o1.
What is the InChIKey of N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is OJUVOBAYVXFKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-9-16-10-7-14-17-11-13(18-14)12-6-5-8-15(12,2)3/h11-12,16H,4-10H2,1-3H3.
What are the key properties of N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 107185134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).