N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline

C15H24N4O2 — CID 80901021

IUPACN-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline
SMILESCCC1CCC(CNc2cccc(NN)c2[N+](=O)[O-])CC1
InChIInChI=1S/C15H24N4O2/c1-2-11-6-8-12(9-7-11)10-17-13-4-3-5-14(18-16)15(13)19(20)21/h3-5,11-12,17-18H,2,6-10,16H2,1H3
InChIKeyDIGLYWMPZICPII-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.51
Rot. Bonds6

About N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline

N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline (PubChem CID 80901021) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline
PubChem CID80901021
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline
SMILESCCC1CCC(CNc2cccc(NN)c2[N+](=O)[O-])CC1
InChIInChI=1S/C15H24N4O2/c1-2-11-6-8-12(9-7-11)10-17-13-4-3-5-14(18-16)15(13)19(20)21/h3-5,11-12,17-18H,2,6-10,16H2,1H3
InChIKeyDIGLYWMPZICPII-UHFFFAOYSA-N
XLogP3.51
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-hydrazinyl-2-nitro-N-(thian-4-ylmethyl)aniline
CID 113488480
3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 106138658
3-N-(cyclopropylmethyl)-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80770395
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydrazinyl-2-nitroaniline
CID 80899247
3-[(3-hydrazinyl-2-nitroanilino)methyl]cyclobutan-1-ol
CID 80921595
3-N-(cyclopentylmethyl)-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80784463
3-hydrazinyl-2-nitro-N-(thiolan-3-ylmethyl)aniline
CID 107298915
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-nitroaniline
CID 80900155
1-N-ethyl-3-N-(4-ethylcyclohexyl)-2-nitrobenzene-1,3-diamine
CID 80780765
2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol
CID 80915431
2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 80924148
3-[[3-(ethylamino)-2-nitroanilino]methyl]cyclopentan-1-ol
CID 106137977

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline (CID 80901021) is N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline is CCC1CCC(CNc2cccc(NN)c2[N+](=O)[O-])CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline?
The InChIKey is DIGLYWMPZICPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-11-6-8-12(9-7-11)10-17-13-4-3-5-14(18-16)15(13)19(20)21/h3-5,11-12,17-18H,2,6-10,16H2,1H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline?
N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline has a molecular weight of 292.38 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-3-hydrazinyl-2-nitroaniline is sourced from PubChem (CID 80901021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).