N-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine

C14H20N2O — CID 123532404

IUPACN-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC=Cc1ccc2c(c1)OCN2
InChIInChI=1S/C14H20N2O/c1-11(2)9-15-7-3-4-12-5-6-13-14(8-12)17-10-16-13/h3-6,8,11,15-16H,7,9-10H2,1-2H3
InChIKeyNBGOOHCROZCEQG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.71
Rot. Bonds5

About N-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine

N-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine (PubChem CID 123532404) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine
PubChem CID123532404
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC=Cc1ccc2c(c1)OCN2
InChIInChI=1S/C14H20N2O/c1-11(2)9-15-7-3-4-12-5-6-13-14(8-12)17-10-16-13/h3-6,8,11,15-16H,7,9-10H2,1-2H3
InChIKeyNBGOOHCROZCEQG-UHFFFAOYSA-N
XLogP2.71
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enyl]-2-methylpropan-1-amine
CID 79346981
N-[(E)-3-[4-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine
CID 115525800
N-[(E)-3-[3-(difluoromethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine
CID 113329486
N-[3-(4-bromophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347756
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 50999745
N-[3-(3,5-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79348417
(2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine
CID 170089150
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337473
2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine
CID 79347200
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79342677
N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide
CID 169465574
N-[3-(4-chlorothiophen-2-yl)prop-2-enyl]-2-methylpropan-1-amine
CID 79426690

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine (CID 123532404) is N-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine is CC(C)CNCC=Cc1ccc2c(c1)OCN2.
What is the InChIKey of N-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine?
The InChIKey is NBGOOHCROZCEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(2)9-15-7-3-4-12-5-6-13-14(8-12)17-10-16-13/h3-6,8,11,15-16H,7,9-10H2,1-2H3.
What are the key properties of N-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine?
N-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1,3-benzoxazol-6-yl)prop-2-enyl]-2-methylpropan-1-amine is sourced from PubChem (CID 123532404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).