(Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium

C13H21N4O2+ — CID 11935947

IUPAC(Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium
SMILESCOc1cc(/C=[NH+]\N=C(N)N)ccc1OCC(C)C
InChIInChI=1S/C13H20N4O2/c1-9(2)8-19-11-5-4-10(6-12(11)18-3)7-16-17-13(14)15/h4-7,9H,8H2,1-3H3,(H4,14,15,17)/p+1/b16-7-
InChIKeyOTTTYXHGBPKACF-APSNUPSMSA-O
MW265.34 g/mol
LogP-0.58
Rot. Bonds6

About (Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium

(Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium (PubChem CID 11935947) has the molecular formula C13H21N4O2+ and a molecular weight of 265.34 g/mol. Its IUPAC name is (Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium.

Molecular Properties

Compound Name(Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium
PubChem CID11935947
Molecular FormulaC13H21N4O2+
Molecular Weight265.34 g/mol
Exact Mass265.17
IUPAC Name(Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium
SMILESCOc1cc(/C=[NH+]\N=C(N)N)ccc1OCC(C)C
InChIInChI=1S/C13H20N4O2/c1-9(2)8-19-11-5-4-10(6-12(11)18-3)7-16-17-13(14)15/h4-7,9H,8H2,1-3H3,(H4,14,15,17)/p+1/b16-7-
InChIKeyOTTTYXHGBPKACF-APSNUPSMSA-O
XLogP-0.58
TPSA96.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium with MolForge

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Related Compounds

(E)-(diaminomethylideneamino)-[[4-(3,4-dimethoxybenzoyl)oxy-3-methoxyphenyl]methylidene]azanium
CID 9058127
(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium
CID 11935921
(E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium
CID 135852459
1-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9176136
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-propan-2-ylprop-2-enamide
CID 73422617
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726
1-ethyl-3-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]thiourea
CID 6910783
(E)-(3-bromo-5-methoxy-4-propoxyphenyl)methylidene-(diaminomethylideneamino)azanium
CID 7971789
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline
CID 110841046
4-methoxy-3-(2-methylpropoxy)benzenethiol
CID 91656127
2-methylpropyl (Z)-2,3-bis(3,4-dimethoxyphenyl)prop-2-enoate
CID 5468999

Frequently Asked Questions

What is the IUPAC name of (Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium?
The IUPAC name of (Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium (CID 11935947) is (Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium.
What is the SMILES notation for (Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium?
The canonical SMILES for (Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium is COc1cc(/C=[NH+]\N=C(N)N)ccc1OCC(C)C.
What is the InChIKey of (Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium?
The InChIKey is OTTTYXHGBPKACF-APSNUPSMSA-O. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)8-19-11-5-4-10(6-12(11)18-3)7-16-17-13(14)15/h4-7,9H,8H2,1-3H3,(H4,14,15,17)/p+1/b16-7-.
What are the key properties of (Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium?
(Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium has a molecular weight of 265.34 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium is sourced from PubChem (CID 11935947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).