1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine

C11H14IN3O2 — CID 115301485

IUPAC1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine
SMILESNC(CNc1ccc(I)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H14IN3O2/c12-8-3-4-10(11(5-8)15(16)17)14-6-9(13)7-1-2-7/h3-5,7,9,14H,1-2,6,13H2
InChIKeyKFINSAKFWVIWJP-UHFFFAOYSA-N
MW347.16 g/mol
LogP2.35
Rot. Bonds5

About 1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine

1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine (PubChem CID 115301485) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is 1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine
PubChem CID115301485
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC Name1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine
SMILESNC(CNc1ccc(I)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H14IN3O2/c12-8-3-4-10(11(5-8)15(16)17)14-6-9(13)7-1-2-7/h3-5,7,9,14H,1-2,6,13H2
InChIKeyKFINSAKFWVIWJP-UHFFFAOYSA-N
XLogP2.35
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide
CID 82993221
1-cyclopropyl-N'-(4-fluoro-5-methoxy-2-nitrophenyl)ethane-1,2-diamine
CID 115301540
1-cyclopropyl-N'-(2-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 113282245
N-(2,3-dimethoxypropyl)-4-iodo-2-nitroaniline
CID 113368842
4-iodo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-nitroaniline
CID 66065491
1-cyclopropyl-N'-[4-nitro-3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 115301528
N-cyclobutyl-4-iodo-2-nitroaniline
CID 63713876
2-(4-iodo-2-nitroanilino)ethanesulfonamide
CID 66066455
7-[(2-amino-2-cyclopropylethyl)amino]-6-nitro-3H-quinazolin-4-one
CID 136993660
4-[(4-iodo-2-nitroanilino)methyl]cyclohexane-1-carboxylic acid
CID 79526020
N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide
CID 133441931
4-iodo-2-nitro-N-(oxan-3-ylmethyl)aniline
CID 47292873

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine (CID 115301485) is 1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine is NC(CNc1ccc(I)cc1[N+](=O)[O-])C1CC1.
What is the InChIKey of 1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine?
The InChIKey is KFINSAKFWVIWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c12-8-3-4-10(11(5-8)15(16)17)14-6-9(13)7-1-2-7/h3-5,7,9,14H,1-2,6,13H2.
What are the key properties of 1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine?
1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine has a molecular weight of 347.16 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine is sourced from PubChem (CID 115301485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).