N-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine

C17H20N2O2 — CID 11482997

IUPACN-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine
SMILESCCCN(CC1CC1)c1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C17H20N2O2/c1-2-11-18(12-13-7-8-13)16-9-10-17(19(20)21)15-6-4-3-5-14(15)16/h3-6,9-10,13H,2,7-8,11-12H2,1H3
InChIKeyZVICKYJUPHYXRE-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.37
Rot. Bonds6

About N-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine

N-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine (PubChem CID 11482997) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine
PubChem CID11482997
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine
SMILESCCCN(CC1CC1)c1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C17H20N2O2/c1-2-11-18(12-13-7-8-13)16-9-10-17(19(20)21)15-6-4-3-5-14(15)16/h3-6,9-10,13H,2,7-8,11-12H2,1H3
InChIKeyZVICKYJUPHYXRE-UHFFFAOYSA-N
XLogP4.37
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-[cyclopropylmethyl(propyl)amino]-3-nitrophenyl]ethanol
CID 61445178
3-chloro-N-(cyclopropylmethyl)-2-nitro-N-propylaniline
CID 104838880
N-(cyclopropylmethyl)-N-propyl-4-(2,4,6-trimethylphenyl)naphthalen-1-amine
CID 22952147
3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine
CID 79719980
6-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine
CID 81139190
2-[(5-nitroisoquinolin-8-yl)-propylamino]ethanol
CID 103142518
(1R)-1-[4-[cyclopropylmethyl(ethyl)amino]-3-nitrophenyl]ethanol
CID 63955404
2-(2-nitro-N-propylanilino)ethanol
CID 61426021
3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine
CID 62588869
5-amino-N-(cyclopropylmethyl)-2-nitro-N-propylbenzenesulfonamide
CID 62159096
3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide
CID 43588041
N-(cyclopropylmethyl)-3-fluoro-4-nitro-N-propylbenzamide
CID 62680227

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine (CID 11482997) is N-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine is CCCN(CC1CC1)c1ccc([N+](=O)[O-])c2ccccc12.
What is the InChIKey of N-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine?
The InChIKey is ZVICKYJUPHYXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-11-18(12-13-7-8-13)16-9-10-17(19(20)21)15-6-4-3-5-14(15)16/h3-6,9-10,13H,2,7-8,11-12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine?
N-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine has a molecular weight of 284.36 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-nitro-N-propylnaphthalen-1-amine is sourced from PubChem (CID 11482997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).