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

C12H22N2O — CID 60691345

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine
SMILESCCCCCCCNCc1cc(C)on1
InChIInChI=1S/C12H22N2O/c1-3-4-5-6-7-8-13-10-12-9-11(2)15-14-12/h9,13H,3-8,10H2,1-2H3
InChIKeyURQRKBURZJZSGJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.04
Rot. Bonds8

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

N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine (PubChem CID 60691345) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine
PubChem CID60691345
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine
SMILESCCCCCCCNCc1cc(C)on1
InChIInChI=1S/C12H22N2O/c1-3-4-5-6-7-8-13-10-12-9-11(2)15-14-12/h9,13H,3-8,10H2,1-2H3
InChIKeyURQRKBURZJZSGJ-UHFFFAOYSA-N
XLogP3.04
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.04
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

3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 81106816
2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 104562071
4,4,4-trifluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butan-1-amine
CID 115513642
3-butyl-5-methyl-1,2-oxazole
CID 19872036
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 60686114
N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55077772
N-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60695514
N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 80708681
N-[[3-[(octylamino)methyl]phenyl]methyl]octan-1-amine
CID 10784784
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]decan-1-amine
CID 82887891
1-(5-tert-butylthiophen-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 81498798
N-(pyrimidin-5-ylmethyl)heptan-1-amine
CID 82672400

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine (CID 60691345) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine is CCCCCCCNCc1cc(C)on1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine?
The InChIKey is URQRKBURZJZSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-5-6-7-8-13-10-12-9-11(2)15-14-12/h9,13H,3-8,10H2,1-2H3.
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine is sourced from PubChem (CID 60691345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).