N'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine

C14H23N3O2 — CID 62635178

IUPACN'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine
SMILESCCC(NCCN(C)CC)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H23N3O2/c1-4-14(15-9-10-16(3)5-2)12-7-6-8-13(11-12)17(18)19/h6-8,11,14-15H,4-5,9-10H2,1-3H3
InChIKeyUZCYGHSYXZPENY-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.59
Rot. Bonds8

About N'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine

N'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine (PubChem CID 62635178) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine
PubChem CID62635178
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine
SMILESCCC(NCCN(C)CC)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H23N3O2/c1-4-14(15-9-10-16(3)5-2)12-7-6-8-13(11-12)17(18)19/h6-8,11,14-15H,4-5,9-10H2,1-3H3
InChIKeyUZCYGHSYXZPENY-UHFFFAOYSA-N
XLogP2.59
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
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

N'-methyl-N-[1-(3-nitrophenyl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 62635214
1-[1-(3-nitrophenyl)propylamino]pentan-3-ol
CID 115729189
1-(3-nitrophenyl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 115902068
2-N,2-N,3-trimethyl-1-N-[1-(3-nitrophenyl)propyl]butane-1,2-diamine
CID 43246265
5-[1-(3-nitrophenyl)propylamino]pentan-2-ol
CID 107270181
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)propan-1-amine
CID 103902179
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-(3-nitrophenyl)propan-1-amine
CID 80685457
1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 43246213
N-(2-but-3-enoxyethyl)-1-(3-nitrophenyl)propan-1-amine
CID 103905065
2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 65315335
2,4,4-trimethyl-N-[1-(3-nitrophenyl)propyl]pentan-2-amine
CID 43731162
N-(2-methylpropoxy)-1-(3-nitrophenyl)propan-1-amine
CID 82709613

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine (CID 62635178) is N'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine is CCC(NCCN(C)CC)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine?
The InChIKey is UZCYGHSYXZPENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-14(15-9-10-16(3)5-2)12-7-6-8-13(11-12)17(18)19/h6-8,11,14-15H,4-5,9-10H2,1-3H3.
What are the key properties of N'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine?
N'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine has a molecular weight of 265.36 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 62635178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).