N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline

C14H23N5O2 — CID 83118794

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline
SMILESCN(C)C1(CNc2cccc(NN)c2[N+](=O)[O-])CCCC1
InChIInChI=1S/C14H23N5O2/c1-18(2)14(8-3-4-9-14)10-16-11-6-5-7-12(17-15)13(11)19(20)21/h5-7,16-17H,3-4,8-10,15H2,1-2H3
InChIKeySATVTWHSGONJFN-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.17
Rot. Bonds6

About N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline

N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline (PubChem CID 83118794) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline
PubChem CID83118794
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline
SMILESCN(C)C1(CNc2cccc(NN)c2[N+](=O)[O-])CCCC1
InChIInChI=1S/C14H23N5O2/c1-18(2)14(8-3-4-9-14)10-16-11-6-5-7-12(17-15)13(11)19(20)21/h5-7,16-17H,3-4,8-10,15H2,1-2H3
InChIKeySATVTWHSGONJFN-UHFFFAOYSA-N
XLogP2.17
TPSA96.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-nitroaniline
CID 105419101
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine
CID 56584812
N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine
CID 80919667
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-2-nitroaniline
CID 105419043
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
CID 80931845
3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine
CID 104834814
2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80907483
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline
CID 80900155
N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline
CID 80901021
N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 80899786
3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline
CID 80914228
2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol
CID 80915431

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline (CID 83118794) is N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline is CN(C)C1(CNc2cccc(NN)c2[N+](=O)[O-])CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline?
The InChIKey is SATVTWHSGONJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-18(2)14(8-3-4-9-14)10-16-11-6-5-7-12(17-15)13(11)19(20)21/h5-7,16-17H,3-4,8-10,15H2,1-2H3.
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline?
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline has a molecular weight of 293.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline is sourced from PubChem (CID 83118794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).