4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine

C17H26N2O2 — CID 65083573

IUPAC4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine
SMILESCCc1ccc(NC2CCCC(CC)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H26N2O2/c1-3-13-6-5-7-15(10-8-13)18-16-11-9-14(4-2)17(12-16)19(20)21/h9,11-13,15,18H,3-8,10H2,1-2H3
InChIKeyVFCGJFAXJDMODC-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.93
Rot. Bonds5

About 4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine

4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine (PubChem CID 65083573) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine
PubChem CID65083573
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine
SMILESCCc1ccc(NC2CCCC(CC)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H26N2O2/c1-3-13-6-5-7-15(10-8-13)18-16-11-9-14(4-2)17(12-16)19(20)21/h9,11-13,15,18H,3-8,10H2,1-2H3
InChIKeyVFCGJFAXJDMODC-UHFFFAOYSA-N
XLogP4.93
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
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

N-(4-fluoro-3-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086819
N-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline
CID 43733137
N-(4-ethyl-3-nitrophenyl)oxolan-3-amine
CID 63335802
N-(cyclopentylmethyl)-4-ethyl-3-nitroaniline
CID 63445406
N-(3-ethylcyclopentyl)-3-methyl-4-nitroaniline
CID 64501556
N-(2-bromo-4-methyl-5-nitrophenyl)-4-ethylcycloheptan-1-amine
CID 104814806
4-ethyl-N-(2-fluoro-4-nitrophenyl)cycloheptan-1-amine
CID 65083703
4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236
3-ethoxy-N-(4-methylcyclohexyl)-4-nitroaniline
CID 63670246
N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide
CID 34655093
4-methyl-N-(3-methyl-4-nitrophenyl)cycloheptan-1-amine
CID 65080487
N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide
CID 65084031

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine (CID 65083573) is 4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine is CCc1ccc(NC2CCCC(CC)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine?
The InChIKey is VFCGJFAXJDMODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-13-6-5-7-15(10-8-13)18-16-11-9-14(4-2)17(12-16)19(20)21/h9,11-13,15,18H,3-8,10H2,1-2H3.
What are the key properties of 4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine?
4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine is sourced from PubChem (CID 65083573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).