(E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride

C10H20Cl2N2 — CID 134893743

IUPAC(E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride
SMILESCC/C(C)=C(Cl)\[NH+]=C(\N)C(C)CC.[Cl-]
InChIInChI=1S/C10H19ClN2.ClH/c1-5-7(3)9(11)13-10(12)8(4)6-2;/h8H,5-6H2,1-4H3,(H2,12,13);1H/b9-7-;
InChIKeyCKCKWYWCEFSPPQ-VILQZVERSA-N
MW239.19 g/mol
LogP-1.65
Rot. Bonds4

About (E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride

(E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride (PubChem CID 134893743) has the molecular formula C10H20Cl2N2 and a molecular weight of 239.19 g/mol. Its IUPAC name is (E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride.

Molecular Properties

Compound Name(E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride
PubChem CID134893743
Molecular FormulaC10H20Cl2N2
Molecular Weight239.19 g/mol
Exact Mass238.10
IUPAC Name(E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride
SMILESCC/C(C)=C(Cl)\[NH+]=C(\N)C(C)CC.[Cl-]
InChIInChI=1S/C10H19ClN2.ClH/c1-5-7(3)9(11)13-10(12)8(4)6-2;/h8H,5-6H2,1-4H3,(H2,12,13);1H/b9-7-;
InChIKeyCKCKWYWCEFSPPQ-VILQZVERSA-N
XLogP-1.65
TPSA39.99 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine
CID 145473645
3,4,5-trimethylhept-3-enamide
CID 123981814
2,3-dimethylpent-1-ene;ethane
CID 143286891
(E)-4-methylhex-3-en-3-amine
CID 129020883
methane;2-methylbutanamide
CID 158835184
(Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine
CID 142056728
N-(1-aminoethylidene)-2-methylbutanamide
CID 123142152
(2E,4E)-5-amino-3,6-dimethylocta-2,4-dien-2-ol
CID 130391029
2-methyl-N'-propan-2-ylbutanimidamide
CID 63717629
CID 174036232
CID 174036232
methanidyl 2-methylbutanoate;2-methylpropane;yttrium
CID 58944114
1-chloro-N-ethyl-3-methyl-2-silylpent-1-en-1-amine
CID 173064997

Frequently Asked Questions

What is the IUPAC name of (E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride?
The IUPAC name of (E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride (CID 134893743) is (E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride.
What is the SMILES notation for (E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride?
The canonical SMILES for (E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride is CC/C(C)=C(Cl)\[NH+]=C(\N)C(C)CC.[Cl-].
What is the InChIKey of (E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride?
The InChIKey is CKCKWYWCEFSPPQ-VILQZVERSA-N. The full InChI is InChI=1S/C10H19ClN2.ClH/c1-5-7(3)9(11)13-10(12)8(4)6-2;/h8H,5-6H2,1-4H3,(H2,12,13);1H/b9-7-;.
What are the key properties of (E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride?
(E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride has a molecular weight of 239.19 g/mol, XLogP of -1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride is sourced from PubChem (CID 134893743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).