[chloro-[di(propan-2-yl)amino]methylidene]-di(propan-2-yl)azanium chloride

C13H28Cl2N2 — CID 11492911

IUPAC[chloro-[di(propan-2-yl)amino]methylidene]-di(propan-2-yl)azanium chloride
SMILESCC(C)N(C(Cl)=[N+](C(C)C)C(C)C)C(C)C.[Cl-]
InChIInChI=1S/C13H28ClN2.ClH/c1-9(2)15(10(3)4)13(14)16(11(5)6)12(7)8;/h9-12H,1-8H3;1H/q+1;/p-1
InChIKeyCWBVBDVZAVPXRG-UHFFFAOYSA-M
MW283.29 g/mol
LogP0.53
Rot. Bonds4

About [chloro-[di(propan-2-yl)amino]methylidene]-di(propan-2-yl)azanium chloride

[chloro-[di(propan-2-yl)amino]methylidene]-di(propan-2-yl)azanium chloride (PubChem CID 11492911) has the molecular formula C13H28Cl2N2 and a molecular weight of 283.29 g/mol. Its IUPAC name is [chloro-[di(propan-2-yl)amino]methylidene]-di(propan-2-yl)azanium chloride.

Molecular Properties

Compound Name[chloro-[di(propan-2-yl)amino]methylidene]-di(propan-2-yl)azanium chloride
PubChem CID11492911
Molecular FormulaC13H28Cl2N2
Molecular Weight283.29 g/mol
Exact Mass282.16
IUPAC Name[chloro-[di(propan-2-yl)amino]methylidene]-di(propan-2-yl)azanium chloride
SMILESCC(C)N(C(Cl)=[N+](C(C)C)C(C)C)C(C)C.[Cl-]
InChIInChI=1S/C13H28ClN2.ClH/c1-9(2)15(10(3)4)13(14)16(11(5)6)12(7)8;/h9-12H,1-8H3;1H/q+1;/p-1
InChIKeyCWBVBDVZAVPXRG-UHFFFAOYSA-M
XLogP0.53
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.53
H-Bond Donors ≤ 50
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutyl-N'-propylcarbamimidoyl chloride
CID 327796
[Chloro(diethylamino)methylidene]-diethylazanium chloride
CID 10900351
[Chloro(diethylamino)methylidene]-diethylazanium
CID 10900352
N,N,N'-tri(propan-2-yl)methanimidamide
CID 12175794
[Chloro(diethylamino)methylidene]-dimethylazanium chloride
CID 13484279
N,N-dibutyl-N'-ethylcarbamimidoyl chloride
CID 121218469
[Di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium
CID 11057444
N,N-dimethyl-N'-propan-2-ylcarbamimidoyl chloride;hydrochloride
CID 13610628
N-methyl-N,N'-di(propan-2-yl)methanimidamide
CID 13860850
N-butyl-N,N'-diethylcarbamimidoyl chloride
CID 17884237
N-methyl-N,N'-dipropylcarbamimidoyl chloride
CID 17884239
N,N'-diethyl-N-propylcarbamimidoyl chloride
CID 17884241

Frequently Asked Questions

What is the IUPAC name of [chloro-[di(propan-2-yl)amino]methylidene]-di(propan-2-yl)azanium chloride?
The IUPAC name of [chloro-[di(propan-2-yl)amino]methylidene]-di(propan-2-yl)azanium chloride (CID 11492911) is [chloro-[di(propan-2-yl)amino]methylidene]-di(propan-2-yl)azanium chloride.
What is the SMILES notation for [chloro-[di(propan-2-yl)amino]methylidene]-di(propan-2-yl)azanium chloride?
The canonical SMILES for [chloro-[di(propan-2-yl)amino]methylidene]-di(propan-2-yl)azanium chloride is CC(C)N(C(Cl)=[N+](C(C)C)C(C)C)C(C)C.[Cl-].
What is the InChIKey of [chloro-[di(propan-2-yl)amino]methylidene]-di(propan-2-yl)azanium chloride?
The InChIKey is CWBVBDVZAVPXRG-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H28ClN2.ClH/c1-9(2)15(10(3)4)13(14)16(11(5)6)12(7)8;/h9-12H,1-8H3;1H/q+1;/p-1.
What are the key properties of [chloro-[di(propan-2-yl)amino]methylidene]-di(propan-2-yl)azanium chloride?
[chloro-[di(propan-2-yl)amino]methylidene]-di(propan-2-yl)azanium chloride has a molecular weight of 283.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-[di(propan-2-yl)amino]methylidene]-di(propan-2-yl)azanium chloride is sourced from PubChem (CID 11492911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).