N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine

C13H18N2O2 — CID 103735801

IUPACN-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine
SMILESCC1(CNCc2ccccc2[N+](=O)[O-])CCC1
InChIInChI=1S/C13H18N2O2/c1-13(7-4-8-13)10-14-9-11-5-2-3-6-12(11)15(16)17/h2-3,5-6,14H,4,7-10H2,1H3
InChIKeyYKLILPPEXNRJTL-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.87
Rot. Bonds5

About N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine

N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine (PubChem CID 103735801) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine
PubChem CID103735801
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine
SMILESCC1(CNCc2ccccc2[N+](=O)[O-])CCC1
InChIInChI=1S/C13H18N2O2/c1-13(7-4-8-13)10-14-9-11-5-2-3-6-12(11)15(16)17/h2-3,5-6,14H,4,7-10H2,1H3
InChIKeyYKLILPPEXNRJTL-UHFFFAOYSA-N
XLogP2.87
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63821333
1-(5-chloro-2-nitrophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735815
1-(5-bromo-2-nitrophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 113340228
1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60664546
1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735964
1-(5,5-dimethyloxolan-2-yl)-N-[(2-nitrophenyl)methyl]methanamine
CID 116521381
N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine;trihydrochloride
CID 175115663
1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680463
N'-[(2-nitrophenyl)methyl]propane-1,3-diamine
CID 60887414
N-[(1-methylcyclopentyl)methyl]-1-naphthalen-1-ylmethanamine
CID 63822202
(2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol
CID 93033289
N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine
CID 103753070

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine (CID 103735801) is N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine is CC1(CNCc2ccccc2[N+](=O)[O-])CCC1.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine?
The InChIKey is YKLILPPEXNRJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(7-4-8-13)10-14-9-11-5-2-3-6-12(11)15(16)17/h2-3,5-6,14H,4,7-10H2,1H3.
What are the key properties of N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine?
N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine has a molecular weight of 234.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine is sourced from PubChem (CID 103735801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).