N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine

C14H27N3O — CID 62431740

IUPACN-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine
SMILESCCCNCc1cc(CN(C)C(CC)CC)on1
InChIInChI=1S/C14H27N3O/c1-5-8-15-10-12-9-14(18-16-12)11-17(4)13(6-2)7-3/h9,13,15H,5-8,10-11H2,1-4H3
InChIKeyAACHQSFAWFJGME-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.79
Rot. Bonds9

About N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine

N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine (PubChem CID 62431740) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine
PubChem CID62431740
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine
SMILESCCCNCc1cc(CN(C)C(CC)CC)on1
InChIInChI=1S/C14H27N3O/c1-5-8-15-10-12-9-14(18-16-12)11-17(4)13(6-2)7-3/h9,13,15H,5-8,10-11H2,1-4H3
InChIKeyAACHQSFAWFJGME-UHFFFAOYSA-N
XLogP2.79
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55074758
N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine
CID 62426996
N-[[5-[[bis(2-methoxyethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62462478
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62426085
3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
CID 62461087
N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine
CID 62429692
N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 63026882
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62463601
N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62430126
N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine
CID 79679045
N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62463826
N-[[5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 82007011

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine?
The IUPAC name of N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine (CID 62431740) is N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine.
What is the SMILES notation for N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine?
The canonical SMILES for N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine is CCCNCc1cc(CN(C)C(CC)CC)on1.
What is the InChIKey of N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine?
The InChIKey is AACHQSFAWFJGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-8-15-10-12-9-14(18-16-12)11-17(4)13(6-2)7-3/h9,13,15H,5-8,10-11H2,1-4H3.
What are the key properties of N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine?
N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine has a molecular weight of 253.39 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine is sourced from PubChem (CID 62431740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).