1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine

C14H20N2O2 — CID 63355466

IUPAC1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine
SMILESCNC(CCCc1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C14H20N2O2/c1-15-13(11-9-10-11)7-4-6-12-5-2-3-8-14(12)16(17)18/h2-3,5,8,11,13,15H,4,6-7,9-10H2,1H3
InChIKeyBAQCGARBKRGZKB-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.92
Rot. Bonds7

About 1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine

1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine (PubChem CID 63355466) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine
PubChem CID63355466
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine
SMILESCNC(CCCc1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C14H20N2O2/c1-15-13(11-9-10-11)7-4-6-12-5-2-3-8-14(12)16(17)18/h2-3,5,8,11,13,15H,4,6-7,9-10H2,1H3
InChIKeyBAQCGARBKRGZKB-UHFFFAOYSA-N
XLogP2.92
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.92
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

1-cyclopropyl-N-methyl-3-(2-nitrophenyl)propan-1-amine
CID 63354955
1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine
CID 107350060
1-cyclopropyl-N-methyl-2-(2-nitrophenyl)sulfonylethanamine
CID 64646113
1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine
CID 115554145
N,4-dimethyl-1-(2-nitrophenyl)pentan-3-amine
CID 54891644
4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine
CID 61080065
1-(4-bromoheptyl)-2-nitrobenzene
CID 55219833
N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine
CID 63063846
1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine
CID 63355442
(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine
CID 81384906
1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine
CID 71144946
N-(2-amino-1-cyclopropylethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 65188663

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine (CID 63355466) is 1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine is CNC(CCCc1ccccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine?
The InChIKey is BAQCGARBKRGZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-13(11-9-10-11)7-4-6-12-5-2-3-8-14(12)16(17)18/h2-3,5,8,11,13,15H,4,6-7,9-10H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine?
1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine is sourced from PubChem (CID 63355466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).