2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine

C14H20N2O2 — CID 79831906

IUPAC2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine
SMILESCC1(C)CCCC1NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N2O2/c1-14(2)9-3-4-13(14)15-10-11-5-7-12(8-6-11)16(17)18/h5-8,13,15H,3-4,9-10H2,1-2H3
InChIKeyZOOBFYCFHAAQEQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.26
Rot. Bonds4

About 2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine

2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine (PubChem CID 79831906) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine
PubChem CID79831906
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine
SMILESCC1(C)CCCC1NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N2O2/c1-14(2)9-3-4-13(14)15-10-11-5-7-12(8-6-11)16(17)18/h5-8,13,15H,3-4,9-10H2,1-2H3
InChIKeyZOOBFYCFHAAQEQ-UHFFFAOYSA-N
XLogP3.26
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.26
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-(2,2-dimethylcyclopentyl)-4-nitroaniline
CID 79859591
N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861395
[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol
CID 113365810
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 79857076
N-[(4-methoxy-3-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870600
1-N,2-N-bis[(4-nitrophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040612
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]cyclopentan-1-amine
CID 79860887
N-[(5-chloro-2-nitrophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79871366
2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine
CID 83006812
N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861962
N-[(6-methoxynaphthalen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866712
N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861703

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine (CID 79831906) is 2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine is CC1(C)CCCC1NCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine?
The InChIKey is ZOOBFYCFHAAQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)9-3-4-13(14)15-10-11-5-7-12(8-6-11)16(17)18/h5-8,13,15H,3-4,9-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine?
2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-nitrophenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79831906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).