diaminomethylidene-di(propan-2-yl)azanium

C7H18N3+ — CID 11299856

IUPACdiaminomethylidene-di(propan-2-yl)azanium
SMILESCC(C)[N+](=C(N)N)C(C)C
InChIInChI=1S/C7H17N3/c1-5(2)10(6(3)4)7(8)9/h5-6H,1-4H3,(H3,8,9)/p+1
InChIKeyWPAUGFDCXHHMCR-UHFFFAOYSA-O
MW144.24 g/mol
LogP0.09
Rot. Bonds2

About diaminomethylidene-di(propan-2-yl)azanium

diaminomethylidene-di(propan-2-yl)azanium (PubChem CID 11299856) has the molecular formula C7H18N3+ and a molecular weight of 144.24 g/mol. Its IUPAC name is diaminomethylidene-di(propan-2-yl)azanium.

Molecular Properties

Compound Namediaminomethylidene-di(propan-2-yl)azanium
PubChem CID11299856
Molecular FormulaC7H18N3+
Molecular Weight144.24 g/mol
Exact Mass144.15
IUPAC Namediaminomethylidene-di(propan-2-yl)azanium
SMILESCC(C)[N+](=C(N)N)C(C)C
InChIInChI=1S/C7H17N3/c1-5(2)10(6(3)4)7(8)9/h5-6H,1-4H3,(H3,8,9)/p+1
InChIKeyWPAUGFDCXHHMCR-UHFFFAOYSA-O
XLogP0.09
TPSA55.05 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.09
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-Isopropylguanidine
CID 11491919
Ethyl-propan-2-yl-(propan-2-yliminomethylidene)azanium
CID 22250320
1,1,2-Tri(propan-2-yl)guanidine
CID 22391788
2-[2-[Ethyl(propan-2-yl)amino]ethyl]guanidine
CID 26510
2-[2-[Propan-2-yl(propyl)amino]ethyl]guanidine
CID 26512
2-[2-[Methyl(propan-2-yl)amino]ethyl]guanidine
CID 26502
Diaminomethylidene(diethyl)azanium
CID 5243947
2-[(2S)-butan-2-yl]guanidine
CID 14977298
2-Butan-2-ylguanidine
CID 18621175
Iminomethylidene-di(propan-2-yl)azanium
CID 18974277
1,1-dimethyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine
CID 21027223
2-[2-[Di(propan-2-yl)amino]ethyl]guanidine
CID 24838563

Frequently Asked Questions

What is the IUPAC name of diaminomethylidene-di(propan-2-yl)azanium?
The IUPAC name of diaminomethylidene-di(propan-2-yl)azanium (CID 11299856) is diaminomethylidene-di(propan-2-yl)azanium.
What is the SMILES notation for diaminomethylidene-di(propan-2-yl)azanium?
The canonical SMILES for diaminomethylidene-di(propan-2-yl)azanium is CC(C)[N+](=C(N)N)C(C)C.
What is the InChIKey of diaminomethylidene-di(propan-2-yl)azanium?
The InChIKey is WPAUGFDCXHHMCR-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17N3/c1-5(2)10(6(3)4)7(8)9/h5-6H,1-4H3,(H3,8,9)/p+1.
What are the key properties of diaminomethylidene-di(propan-2-yl)azanium?
diaminomethylidene-di(propan-2-yl)azanium has a molecular weight of 144.24 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-di(propan-2-yl)azanium is sourced from PubChem (CID 11299856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).