1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine

C14H21N3O2 — CID 106738167

IUPAC1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)C2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-10-6-7-12(8-14(10)17(18)19)16-13(9-15)11-4-2-3-5-11/h6-8,11,13,16H,2-5,9,15H2,1H3
InChIKeyGUTZZMFTCNMQKN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.83
Rot. Bonds5

About 1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine

1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine (PubChem CID 106738167) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine
PubChem CID106738167
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)C2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-10-6-7-12(8-14(10)17(18)19)16-13(9-15)11-4-2-3-5-11/h6-8,11,13,16H,2-5,9,15H2,1H3
InChIKeyGUTZZMFTCNMQKN-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-N-(2-amino-1-cyclohexylethyl)-4-nitrobenzene-1,3-diamine
CID 106749961
5-[(2-amino-1-cyclopentylethyl)amino]-2-nitrobenzonitrile
CID 106738094
N-(dicyclopropylmethyl)-4-methyl-3-nitroaniline
CID 43718375
N-(3-chloro-4-methylphenyl)-1-cyclohexylethane-1,2-diamine
CID 104721878
1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine
CID 103594245
1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738229
4-methyl-2-N-(4-methyl-3-nitrophenyl)pentane-1,2-diamine
CID 63887958
1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine
CID 106738241
4-methyl-3-nitro-N-(1-piperidin-3-ylethyl)aniline
CID 62911788
N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 104721795
1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106738165
1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine
CID 106738349

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine (CID 106738167) is 1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine is Cc1ccc(NC(CN)C2CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine?
The InChIKey is GUTZZMFTCNMQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-6-7-12(8-14(10)17(18)19)16-13(9-15)11-4-2-3-5-11/h6-8,11,13,16H,2-5,9,15H2,1H3.
What are the key properties of 1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine?
1-cyclopentyl-N-(4-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-(4-methyl-3-nitrophenyl)ethane-1,2-diamine is sourced from PubChem (CID 106738167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).