2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine

C14H18N2O3 — CID 103864594

IUPAC2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
SMILESO=[N+]([O-])c1cccc(CNC2CCOC2C2CC2)c1
InChIInChI=1S/C14H18N2O3/c17-16(18)12-3-1-2-10(8-12)9-15-13-6-7-19-14(13)11-4-5-11/h1-3,8,11,13-15H,4-7,9H2
InChIKeyBTDIJVXDQGROHS-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.25
Rot. Bonds5

About 2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine

2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine (PubChem CID 103864594) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
PubChem CID103864594
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
SMILESO=[N+]([O-])c1cccc(CNC2CCOC2C2CC2)c1
InChIInChI=1S/C14H18N2O3/c17-16(18)12-3-1-2-10(8-12)9-15-13-6-7-19-14(13)11-4-5-11/h1-3,8,11,13-15H,4-7,9H2
InChIKeyBTDIJVXDQGROHS-UHFFFAOYSA-N
XLogP2.25
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis[(3-nitrophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040610
N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864509
2-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 62367003
4-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 28615203
N-[(3-nitrophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752134
N-[(3-nitrophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694227
5-methyl-N-[(3-nitrophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 43710039
2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
N-[(3-nitrophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434614
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864559
2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
CID 79928053
N-[(3-nitrophenyl)methyl]cyclohexanamine;oxalic acid
CID 17367766

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine (CID 103864594) is 2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine is O=[N+]([O-])c1cccc(CNC2CCOC2C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine?
The InChIKey is BTDIJVXDQGROHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-16(18)12-3-1-2-10(8-12)9-15-13-6-7-19-14(13)11-4-5-11/h1-3,8,11,13-15H,4-7,9H2.
What are the key properties of 2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine?
2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine has a molecular weight of 262.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 103864594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).