1-(4-nitrosophenyl)hexane-1,6-diamine

C12H19N3O — CID 172725647

IUPAC1-(4-nitrosophenyl)hexane-1,6-diamine
SMILESNCCCCCC(N)c1ccc(N=O)cc1
InChIInChI=1S/C12H19N3O/c13-9-3-1-2-4-12(14)10-5-7-11(15-16)8-6-10/h5-8,12H,1-4,9,13-14H2
InChIKeyHCMTXARSDBMWLF-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.60
Rot. Bonds7

About 1-(4-nitrosophenyl)hexane-1,6-diamine

1-(4-nitrosophenyl)hexane-1,6-diamine (PubChem CID 172725647) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(4-nitrosophenyl)hexane-1,6-diamine.

Molecular Properties

Compound Name1-(4-nitrosophenyl)hexane-1,6-diamine
PubChem CID172725647
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(4-nitrosophenyl)hexane-1,6-diamine
SMILESNCCCCCC(N)c1ccc(N=O)cc1
InChIInChI=1S/C12H19N3O/c13-9-3-1-2-4-12(14)10-5-7-11(15-16)8-6-10/h5-8,12H,1-4,9,13-14H2
InChIKeyHCMTXARSDBMWLF-UHFFFAOYSA-N
XLogP2.60
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-phenylphenyl)pentane-1,5-diamine
CID 171208421
(1S)-1-(4-nitrophenyl)pentane-1,5-diamine
CID 171217751
(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
CID 171200265
(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171210029
methyl 4-[(1R)-1,5-diaminopentyl]benzoate
CID 171212670
(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine
CID 171200692
(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171206167
(1S)-1-(4-iodophenyl)butane-1,4-diamine;hydrochloride
CID 171222428
(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride
CID 171206168
(1R)-1-(3,4-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171200476
(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171226808
(1S)-1-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 171223924

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrosophenyl)hexane-1,6-diamine?
The IUPAC name of 1-(4-nitrosophenyl)hexane-1,6-diamine (CID 172725647) is 1-(4-nitrosophenyl)hexane-1,6-diamine.
What is the SMILES notation for 1-(4-nitrosophenyl)hexane-1,6-diamine?
The canonical SMILES for 1-(4-nitrosophenyl)hexane-1,6-diamine is NCCCCCC(N)c1ccc(N=O)cc1.
What is the InChIKey of 1-(4-nitrosophenyl)hexane-1,6-diamine?
The InChIKey is HCMTXARSDBMWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-9-3-1-2-4-12(14)10-5-7-11(15-16)8-6-10/h5-8,12H,1-4,9,13-14H2.
What are the key properties of 1-(4-nitrosophenyl)hexane-1,6-diamine?
1-(4-nitrosophenyl)hexane-1,6-diamine has a molecular weight of 221.30 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrosophenyl)hexane-1,6-diamine is sourced from PubChem (CID 172725647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).