2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide

C26H46N4-2 — CID 102076123

IUPAC2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide
SMILESCC(C)(C)C/N=C1\C=C([N-]CC(C)(C)C)/C(=N/CC(C)(C)C)C=C1[N-]CC(C)(C)C
InChIInChI=1S/C26H46N4/c1-23(2,3)15-27-19-13-21(29-17-25(7,8)9)22(30-18-26(10,11)12)14-20(19)28-16-24(4,5)6/h13-14H,15-18H2,1-12H3/q-2/b27-19+,30-22+
InChIKeyIGVYSPADNFWLAV-ABJZCIPVSA-N
MW414.68 g/mol
LogP7.58
Rot. Bonds6

About 2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide

2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide (PubChem CID 102076123) has the molecular formula C26H46N4-2 and a molecular weight of 414.68 g/mol. Its IUPAC name is 2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide.

Molecular Properties

Compound Name2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide
PubChem CID102076123
Molecular FormulaC26H46N4-2
Molecular Weight414.68 g/mol
Exact Mass414.37
IUPAC Name2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide
SMILESCC(C)(C)C/N=C1\C=C([N-]CC(C)(C)C)/C(=N/CC(C)(C)C)C=C1[N-]CC(C)(C)C
InChIInChI=1S/C26H46N4/c1-23(2,3)15-27-19-13-21(29-17-25(7,8)9)22(30-18-26(10,11)12)14-20(19)28-16-24(4,5)6/h13-14H,15-18H2,1-12H3/q-2/b27-19+,30-22+
InChIKeyIGVYSPADNFWLAV-ABJZCIPVSA-N
XLogP7.58
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.68
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,5-Bis(2,2-dimethylpropylamino)-4-(2,2-dimethylpropylimino)cyclohexa-2,5-dien-1-ylidene]-(2,2-dimethylpropyl)azanium chloride
CID 139119792
copper bis(methyl-[(Z)-4-(2-methylpropylimino)pent-2-en-2-yl]azanide)
CID 139121718
Bis(4-N-methylimino-2-methylamino-2-pentene)bis(ethylamido) zirconium
CID 139130802
manganese(2+);bis(propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide)
CID 162407548
tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+)
CID 59137868
1,5,7-Tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene
CID 123778578
tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+)
CID 140545989
(E)-N-(3,3-dimethylbut-1-en-2-yl)-N-methyl-2-prop-1-en-2-yliminohex-3-en-3-amine
CID 155160499
(Z)-N-dipropylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
CID 166498023
(Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine
CID 166498028
(Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine
CID 166498062
(Z)-N-diethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine
CID 166498068

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide?
The IUPAC name of 2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide (CID 102076123) is 2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide.
What is the SMILES notation for 2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide?
The canonical SMILES for 2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide is CC(C)(C)C/N=C1\C=C([N-]CC(C)(C)C)/C(=N/CC(C)(C)C)C=C1[N-]CC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide?
The InChIKey is IGVYSPADNFWLAV-ABJZCIPVSA-N. The full InChI is InChI=1S/C26H46N4/c1-23(2,3)15-27-19-13-21(29-17-25(7,8)9)22(30-18-26(10,11)12)14-20(19)28-16-24(4,5)6/h13-14H,15-18H2,1-12H3/q-2/b27-19+,30-22+.
What are the key properties of 2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide?
2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide has a molecular weight of 414.68 g/mol, XLogP of 7.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl-[4-(2,2-dimethylpropylazanidyl)-3,6-bis(2,2-dimethylpropylimino)cyclohexa-1,4-dien-1-yl]azanide is sourced from PubChem (CID 102076123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).