N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride

C15H22ClN3O3 — CID 119610894

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3.ClH/c16-10-12-5-1-2-7-14(12)17-15(19)9-11-4-3-6-13(8-11)18(20)21;/h3-4,6,8,12,14H,1-2,5,7,9-10,16H2,(H,17,19);1H
InChIKeyIUSRFDWJJDCLRI-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.19
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride (PubChem CID 119610894) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride
PubChem CID119610894
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3.ClH/c16-10-12-5-1-2-7-14(12)17-15(19)9-11-4-3-6-13(8-11)18(20)21;/h3-4,6,8,12,14H,1-2,5,7,9-10,16H2,(H,17,19);1H
InChIKeyIUSRFDWJJDCLRI-UHFFFAOYSA-N
XLogP2.19
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.19
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

N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide
CID 115737499
N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
CID 104541060
N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 114695003
N-[2-(aminomethyl)cyclohexyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 119611368
N-[2-(aminomethyl)cyclohexyl]-4-(4-nitroanilino)butanamide;hydrochloride
CID 119611458
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
1-N,2-N-bis[(3-nitrophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040610
N-[2-(aminomethyl)cyclopentyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119600586
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride
CID 119602955
N-[2-(aminomethyl)cyclohexyl]-3-(2-nitroanilino)propanamide;hydrochloride
CID 119609788
N-[2-(aminomethyl)cyclopentyl]-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119602784
N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
CID 122080741

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride (CID 119610894) is N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride?
The InChIKey is IUSRFDWJJDCLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c16-10-12-5-1-2-7-14(12)17-15(19)9-11-4-3-6-13(8-11)18(20)21;/h3-4,6,8,12,14H,1-2,5,7,9-10,16H2,(H,17,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119610894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).