1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine

C14H21N3O2 — CID 106738229

IUPAC1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine
SMILESCc1c(NC(CN)C2CCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-10-12(7-4-8-14(10)17(18)19)16-13(9-15)11-5-2-3-6-11/h4,7-8,11,13,16H,2-3,5-6,9,15H2,1H3
InChIKeyREOKHCQDHQXHTE-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.83
Rot. Bonds5

About 1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine

1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine (PubChem CID 106738229) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine
PubChem CID106738229
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine
SMILESCc1c(NC(CN)C2CCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-10-12(7-4-8-14(10)17(18)19)16-13(9-15)11-5-2-3-6-11/h4,7-8,11,13,16H,2-3,5-6,9,15H2,1H3
InChIKeyREOKHCQDHQXHTE-UHFFFAOYSA-N
XLogP2.83
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
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-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine
CID 106738241
2-cyclohexyl-2-(2-methyl-3-nitroanilino)acetic acid
CID 63077083
1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738167
1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine
CID 103594245
1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309440
N-(2-amino-1-cyclohexylethyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride
CID 119983834
1-cyclopropyl-N'-(2-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 113282245
2-[(2-amino-1-cyclopentylethyl)amino]-5-nitrobenzonitrile
CID 106738095
2-methyl-3-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539824
1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine
CID 106738349
1-N-(2-amino-1-cyclohexylethyl)-4-nitrobenzene-1,3-diamine
CID 106749961
N-(4-chloro-5-fluoro-2-nitrophenyl)-1-cyclohexylethane-1,2-diamine
CID 115309612

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine (CID 106738229) is 1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine is Cc1c(NC(CN)C2CCCC2)cccc1[N+](=O)[O-].
What is the InChIKey of 1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine?
The InChIKey is REOKHCQDHQXHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-12(7-4-8-14(10)17(18)19)16-13(9-15)11-5-2-3-6-11/h4,7-8,11,13,16H,2-3,5-6,9,15H2,1H3.
What are the key properties of 1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine?
1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine has a molecular weight of 263.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine is sourced from PubChem (CID 106738229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).