3-[2-(cyclopropylmethylamino)cyclopropyl]benzaldehyde;N,5-dimethyl-1,2-oxazol-3-amine

C19H25N3O2 — CID 144605403

IUPAC3-[2-(cyclopropylmethylamino)cyclopropyl]benzaldehyde;N,5-dimethyl-1,2-oxazol-3-amine
SMILESCNc1cc(C)on1.O=Cc1cccc(C2CC2NCC2CC2)c1
InChIInChI=1S/C14H17NO.C5H8N2O/c16-9-11-2-1-3-12(6-11)13-7-14(13)15-8-10-4-5-10;1-4-3-5(6-2)7-8-4/h1-3,6,9-10,13-15H,4-5,7-8H2;3H,1-2H3,(H,6,7)
InChIKeyIJLJMFIBSUIMTD-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.38
Rot. Bonds6

About 3-[2-(cyclopropylmethylamino)cyclopropyl]benzaldehyde;N,5-dimethyl-1,2-oxazol-3-amine

3-[2-(cyclopropylmethylamino)cyclopropyl]benzaldehyde;N,5-dimethyl-1,2-oxazol-3-amine (PubChem CID 144605403) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethylamino)cyclopropyl]benzaldehyde;N,5-dimethyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name3-[2-(cyclopropylmethylamino)cyclopropyl]benzaldehyde;N,5-dimethyl-1,2-oxazol-3-amine
PubChem CID144605403
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[2-(cyclopropylmethylamino)cyclopropyl]benzaldehyde;N,5-dimethyl-1,2-oxazol-3-amine
SMILESCNc1cc(C)on1.O=Cc1cccc(C2CC2NCC2CC2)c1
InChIInChI=1S/C14H17NO.C5H8N2O/c16-9-11-2-1-3-12(6-11)13-7-14(13)15-8-10-4-5-10;1-4-3-5(6-2)7-8-4/h1-3,6,9-10,13-15H,4-5,7-8H2;3H,1-2H3,(H,6,7)
InChIKeyIJLJMFIBSUIMTD-UHFFFAOYSA-N
XLogP3.38
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide
CID 118432924
2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
CID 119697251
[3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 118304880
cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 2166198
N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine
CID 73349510
N-(cyclopropylmethyl)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
CID 135160107
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
tert-butyl formate;trans-(1R,2S)-N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine
CID 174838718
trans-(1R,2R)-N-[(2S)-butan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
CID 11903460
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 814628
N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814632

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethylamino)cyclopropyl]benzaldehyde;N,5-dimethyl-1,2-oxazol-3-amine?
The IUPAC name of 3-[2-(cyclopropylmethylamino)cyclopropyl]benzaldehyde;N,5-dimethyl-1,2-oxazol-3-amine (CID 144605403) is 3-[2-(cyclopropylmethylamino)cyclopropyl]benzaldehyde;N,5-dimethyl-1,2-oxazol-3-amine.
What is the SMILES notation for 3-[2-(cyclopropylmethylamino)cyclopropyl]benzaldehyde;N,5-dimethyl-1,2-oxazol-3-amine?
The canonical SMILES for 3-[2-(cyclopropylmethylamino)cyclopropyl]benzaldehyde;N,5-dimethyl-1,2-oxazol-3-amine is CNc1cc(C)on1.O=Cc1cccc(C2CC2NCC2CC2)c1.
What is the InChIKey of 3-[2-(cyclopropylmethylamino)cyclopropyl]benzaldehyde;N,5-dimethyl-1,2-oxazol-3-amine?
The InChIKey is IJLJMFIBSUIMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C5H8N2O/c16-9-11-2-1-3-12(6-11)13-7-14(13)15-8-10-4-5-10;1-4-3-5(6-2)7-8-4/h1-3,6,9-10,13-15H,4-5,7-8H2;3H,1-2H3,(H,6,7).
What are the key properties of 3-[2-(cyclopropylmethylamino)cyclopropyl]benzaldehyde;N,5-dimethyl-1,2-oxazol-3-amine?
3-[2-(cyclopropylmethylamino)cyclopropyl]benzaldehyde;N,5-dimethyl-1,2-oxazol-3-amine has a molecular weight of 327.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethylamino)cyclopropyl]benzaldehyde;N,5-dimethyl-1,2-oxazol-3-amine is sourced from PubChem (CID 144605403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).