3-nitrocyclohexan-1-amine

C6H12N2O2 — CID 84648957

IUPAC3-nitrocyclohexan-1-amine
SMILESNC1CCCC([N+](=O)[O-])C1
InChIInChI=1S/C6H12N2O2/c7-5-2-1-3-6(4-5)8(9)10/h5-6H,1-4,7H2
InChIKeyAZLDSDRGFNCMTR-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.53
Rot. Bonds1

About 3-nitrocyclohexan-1-amine

3-nitrocyclohexan-1-amine (PubChem CID 84648957) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-nitrocyclohexan-1-amine.

Molecular Properties

Compound Name3-nitrocyclohexan-1-amine
PubChem CID84648957
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-nitrocyclohexan-1-amine
SMILESNC1CCCC([N+](=O)[O-])C1
InChIInChI=1S/C6H12N2O2/c7-5-2-1-3-6(4-5)8(9)10/h5-6H,1-4,7H2
InChIKeyAZLDSDRGFNCMTR-UHFFFAOYSA-N
XLogP0.53
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.53
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

2-methyl-4-nitrocyclohexan-1-amine
CID 147336426
1-fluoro-3-nitrocyclododecane
CID 67108206
(3aR,7aR)-2-nitro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 10797214
3-nitrobicyclo[3.2.0]heptane
CID 147227399
carbonic acid;cyclohexane-1,3-diamine
CID 67563163
ethyl 3-nitrocyclohexane-1-carboxylate
CID 121272582
CID 148762537
CID 148762537
3-cycloheptylcyclohexan-1-amine
CID 82924474
3-(7-nitroheptan-3-yl)cyclohexan-1-amine
CID 163516942
1-nitro-4-[(4-nitrocyclohexyl)methyl]cyclohexane
CID 10468354
1-N-(4-nitrophenyl)cyclohexane-1,3-diamine
CID 79459238
(3R)-3-propan-2-ylcyclohexan-1-amine
CID 55289191

Frequently Asked Questions

What is the IUPAC name of 3-nitrocyclohexan-1-amine?
The IUPAC name of 3-nitrocyclohexan-1-amine (CID 84648957) is 3-nitrocyclohexan-1-amine.
What is the SMILES notation for 3-nitrocyclohexan-1-amine?
The canonical SMILES for 3-nitrocyclohexan-1-amine is NC1CCCC([N+](=O)[O-])C1.
What is the InChIKey of 3-nitrocyclohexan-1-amine?
The InChIKey is AZLDSDRGFNCMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-5-2-1-3-6(4-5)8(9)10/h5-6H,1-4,7H2.
What are the key properties of 3-nitrocyclohexan-1-amine?
3-nitrocyclohexan-1-amine has a molecular weight of 144.17 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrocyclohexan-1-amine is sourced from PubChem (CID 84648957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).