N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline

C15H23N3O2 — CID 133491716

IUPACN-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline
SMILESCN(C)CC1(CNc2ccccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C15H23N3O2/c1-17(2)12-15(9-5-6-10-15)11-16-13-7-3-4-8-14(13)18(19)20/h3-4,7-8,16H,5-6,9-12H2,1-2H3
InChIKeyVTOMPFKRIRQFIB-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.13
Rot. Bonds6

About N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline

N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline (PubChem CID 133491716) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline.

Molecular Properties

Compound NameN-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline
PubChem CID133491716
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline
SMILESCN(C)CC1(CNc2ccccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C15H23N3O2/c1-17(2)12-15(9-5-6-10-15)11-16-13-7-3-4-8-14(13)18(19)20/h3-4,7-8,16H,5-6,9-12H2,1-2H3
InChIKeyVTOMPFKRIRQFIB-UHFFFAOYSA-N
XLogP3.13
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.13
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

[3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol
CID 133491614
4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide
CID 133491719
2-[methyl-[1-[(2-nitroanilino)methyl]cyclohexyl]amino]ethanol
CID 133313137
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine
CID 133491630
N-(1-ethylcyclohexyl)-2-nitroaniline
CID 171544439
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-nitroaniline
CID 103989902
2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile
CID 133491706
[1-[(4-methoxy-2-nitroanilino)methyl]cyclopentyl]methanol
CID 115360765
N-[(1-hydroxycyclopentyl)methyl]-3-(2-nitroanilino)propanamide
CID 111331433
N,N'-bis(2-nitrophenyl)octane-1,8-diamine
CID 71442066
N,N'-bis(2-nitrophenyl)pentane-1,5-diamine
CID 86062096
2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide
CID 133491788

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline?
The IUPAC name of N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline (CID 133491716) is N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline.
What is the SMILES notation for N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline?
The canonical SMILES for N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline is CN(C)CC1(CNc2ccccc2[N+](=O)[O-])CCCC1.
What is the InChIKey of N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline?
The InChIKey is VTOMPFKRIRQFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17(2)12-15(9-5-6-10-15)11-16-13-7-3-4-8-14(13)18(19)20/h3-4,7-8,16H,5-6,9-12H2,1-2H3.
What are the key properties of N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline?
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline has a molecular weight of 277.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline is sourced from PubChem (CID 133491716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).