[1-(3-amino-4-nitroanilino)cyclohexyl]methanol

C13H19N3O3 — CID 106749253

IUPAC[1-(3-amino-4-nitroanilino)cyclohexyl]methanol
SMILESNc1cc(NC2(CO)CCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c14-11-8-10(4-5-12(11)16(18)19)15-13(9-17)6-2-1-3-7-13/h4-5,8,15,17H,1-3,6-7,9,14H2
InChIKeyZEDUZFVCURPLTR-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.28
Rot. Bonds4

About [1-(3-amino-4-nitroanilino)cyclohexyl]methanol

[1-(3-amino-4-nitroanilino)cyclohexyl]methanol (PubChem CID 106749253) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [1-(3-amino-4-nitroanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3-amino-4-nitroanilino)cyclohexyl]methanol
PubChem CID106749253
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[1-(3-amino-4-nitroanilino)cyclohexyl]methanol
SMILESNc1cc(NC2(CO)CCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c14-11-8-10(4-5-12(11)16(18)19)15-13(9-17)6-2-1-3-7-13/h4-5,8,15,17H,1-3,6-7,9,14H2
InChIKeyZEDUZFVCURPLTR-UHFFFAOYSA-N
XLogP2.28
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

[1-(3-amino-4-nitroanilino)-4-methylcyclohexyl]methanol
CID 106749254
[1-[4-nitro-3-(trifluoromethyl)anilino]cyclopentyl]methanol
CID 11472201
5-[[1-(hydroxymethyl)cyclobutyl]amino]-2-nitrobenzonitrile
CID 104844166
[1-(4-nitroanilino)cyclohexyl]methanol
CID 62520982
[1-(4-nitroanilino)cyclopentyl]methanol
CID 59683301
[1-(4-nitro-3-propoxyanilino)cyclopentyl]methanol
CID 63671999
[1-(5-bromo-2-nitroanilino)cyclohexyl]methanol
CID 65343189
1-N-[(1-methylcyclopentyl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749309
1-N-[1-(aminomethyl)-2-methylcyclohexyl]-4-nitrobenzene-1,3-diamine
CID 106749960
[1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol
CID 62552640
2-[1-(3-methoxy-4-nitroanilino)cyclopentyl]acetic acid
CID 64700769
[1-(3-amino-2-nitroanilino)cyclopentyl]methanol
CID 80833202

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-4-nitroanilino)cyclohexyl]methanol?
The IUPAC name of [1-(3-amino-4-nitroanilino)cyclohexyl]methanol (CID 106749253) is [1-(3-amino-4-nitroanilino)cyclohexyl]methanol.
What is the SMILES notation for [1-(3-amino-4-nitroanilino)cyclohexyl]methanol?
The canonical SMILES for [1-(3-amino-4-nitroanilino)cyclohexyl]methanol is Nc1cc(NC2(CO)CCCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of [1-(3-amino-4-nitroanilino)cyclohexyl]methanol?
The InChIKey is ZEDUZFVCURPLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-11-8-10(4-5-12(11)16(18)19)15-13(9-17)6-2-1-3-7-13/h4-5,8,15,17H,1-3,6-7,9,14H2.
What are the key properties of [1-(3-amino-4-nitroanilino)cyclohexyl]methanol?
[1-(3-amino-4-nitroanilino)cyclohexyl]methanol has a molecular weight of 265.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-4-nitroanilino)cyclohexyl]methanol is sourced from PubChem (CID 106749253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).