N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine

C16H27N3O — CID 62433873

IUPACN-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine
SMILESCN(Cc1cc(CNC2CC2)no1)C1CCCCCC1
InChIInChI=1S/C16H27N3O/c1-19(15-6-4-2-3-5-7-15)12-16-10-14(18-20-16)11-17-13-8-9-13/h10,13,15,17H,2-9,11-12H2,1H3
InChIKeySOCZWHUIZMHBPT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.08
Rot. Bonds6

About N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine

N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine (PubChem CID 62433873) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine
PubChem CID62433873
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine
SMILESCN(Cc1cc(CNC2CC2)no1)C1CCCCCC1
InChIInChI=1S/C16H27N3O/c1-19(15-6-4-2-3-5-7-15)12-16-10-14(18-20-16)11-17-13-8-9-13/h10,13,15,17H,2-9,11-12H2,1H3
InChIKeySOCZWHUIZMHBPT-UHFFFAOYSA-N
XLogP3.08
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62439222
N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55074758
5-[[cyclohexyl(methyl)amino]methyl]-1,2-oxazol-3-amine
CID 117038942
N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 112665585
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline
CID 62435264
N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62418473
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine
CID 55073850
N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 81067715
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline
CID 62429145
N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62427363
N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine
CID 62547704
N-[[5-[[cyclopropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62418527

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine?
The IUPAC name of N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine (CID 62433873) is N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine is CN(Cc1cc(CNC2CC2)no1)C1CCCCCC1.
What is the InChIKey of N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine?
The InChIKey is SOCZWHUIZMHBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-19(15-6-4-2-3-5-7-15)12-16-10-14(18-20-16)11-17-13-8-9-13/h10,13,15,17H,2-9,11-12H2,1H3.
What are the key properties of N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine?
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine has a molecular weight of 277.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine is sourced from PubChem (CID 62433873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).