N'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid)

C12H16N4O6 — CID 158525985

IUPACN'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid)
SMILESNCCNc1cccc2ccccc12.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C12H14N2.2HNO3/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;2*2-1(3)4/h1-7,14H,8-9,13H2;2*(H,2,3,4)
InChIKeyHMUAOPPBIZXELH-UHFFFAOYSA-N
MW312.28 g/mol
LogP1.51
Rot. Bonds3

About N'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid)

N'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid) (PubChem CID 158525985) has the molecular formula C12H16N4O6 and a molecular weight of 312.28 g/mol. Its IUPAC name is N'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid).

Molecular Properties

Compound NameN'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid)
PubChem CID158525985
Molecular FormulaC12H16N4O6
Molecular Weight312.28 g/mol
Exact Mass312.11
IUPAC NameN'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid)
SMILESNCCNc1cccc2ccccc12.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C12H14N2.2HNO3/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;2*2-1(3)4/h1-7,14H,8-9,13H2;2*(H,2,3,4)
InChIKeyHMUAOPPBIZXELH-UHFFFAOYSA-N
XLogP1.51
TPSA164.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

4-aminobenzenesulfonic acid;N'-naphthalen-1-ylethane-1,2-diamine;hydrochloride
CID 175085232
2-hydroxypropane-1,2,3-tricarboxylic acid;N'-naphthalen-1-ylethane-1,2-diamine
CID 174670333
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
2-(naphthalen-1-ylamino)ethanesulfonamide
CID 114384703
N-(4-methylsulfonyl-2-nitrophenyl)-N'-naphthalen-1-ylethane-1,2-diamine
CID 7569692
2-methyl-4-(naphthalen-1-ylamino)butanoic acid
CID 115220580
4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
CID 139629187
acetic acid;2-(2-aminoethylamino)phenol
CID 162322741
4-N-(2-aminoethyl)naphthalene-1,4-diamine
CID 146264180
[5-(2-aminoethylamino)naphthalen-1-yl] hydrogen sulfate
CID 68549214
N-naphthalen-1-yl-2-nitrobenzenesulfonamide
CID 681787
3-(2-aminoethylamino)-4-nitrophenol
CID 18984056

Frequently Asked Questions

What is the IUPAC name of N'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid)?
The IUPAC name of N'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid) (CID 158525985) is N'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid).
What is the SMILES notation for N'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid)?
The canonical SMILES for N'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid) is NCCNc1cccc2ccccc12.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of N'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid)?
The InChIKey is HMUAOPPBIZXELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.2HNO3/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;2*2-1(3)4/h1-7,14H,8-9,13H2;2*(H,2,3,4).
What are the key properties of N'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid)?
N'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid) has a molecular weight of 312.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-naphthalen-1-ylethane-1,2-diamine;bis(nitric acid) is sourced from PubChem (CID 158525985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).