1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine

C17H21N3O2 — CID 177405038

IUPAC1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine
SMILESC/C(=C/c1ccc2cccc(N(C)C)c2c1N(C)C)[N+](=O)[O-]
InChIInChI=1S/C17H21N3O2/c1-12(20(21)22)11-14-10-9-13-7-6-8-15(18(2)3)16(13)17(14)19(4)5/h6-11H,1-5H3/b12-11-
InChIKeyASJIYXXAZMGKBX-QXMHVHEDSA-N
MW299.37 g/mol
LogP3.61
Rot. Bonds4

About 1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine

1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine (PubChem CID 177405038) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine.

Molecular Properties

Compound Name1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine
PubChem CID177405038
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine
SMILESC/C(=C/c1ccc2cccc(N(C)C)c2c1N(C)C)[N+](=O)[O-]
InChIInChI=1S/C17H21N3O2/c1-12(20(21)22)11-14-10-9-13-7-6-8-15(18(2)3)16(13)17(14)19(4)5/h6-11H,1-5H3/b12-11-
InChIKeyASJIYXXAZMGKBX-QXMHVHEDSA-N
XLogP3.61
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine with MolForge

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Related Compounds

(NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine
CID 139091981
[1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol
CID 54753234
2-chloro-8-methyl-3-[(E)-2-nitroprop-1-enyl]quinoline
CID 55016872
2-nitroprop-1-enylbenzene
CID 12807
2-(2-nitroprop-1-enyl)benzoic acid
CID 54098405
4-chloro-2-fluoro-1-(2-nitroprop-1-enyl)benzene
CID 123795160
1,2,3-trimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
CID 6537121
2-[(E)-2-nitroprop-1-enyl]benzene-1,4-diol
CID 24988512
2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene
CID 5374508
2-(2-nitroprop-1-enyl)-1H-indole
CID 140830257
4-bromo-2-[(Z)-2-nitroprop-1-enyl]phenol
CID 96838868
1-fluoro-3-(2-nitroprop-1-enyl)benzene
CID 74315808

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine?
The IUPAC name of 1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine (CID 177405038) is 1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine.
What is the SMILES notation for 1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine?
The canonical SMILES for 1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine is C/C(=C/c1ccc2cccc(N(C)C)c2c1N(C)C)[N+](=O)[O-].
What is the InChIKey of 1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine?
The InChIKey is ASJIYXXAZMGKBX-QXMHVHEDSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(20(21)22)11-14-10-9-13-7-6-8-15(18(2)3)16(13)17(14)19(4)5/h6-11H,1-5H3/b12-11-.
What are the key properties of 1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine?
1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine has a molecular weight of 299.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine is sourced from PubChem (CID 177405038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).