2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide

C14H26N6 — CID 154121266

IUPAC2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide
SMILESCC=C/N=C(\N)C(C)(C)/N=N/C(C)(C)/C(N)=N/C=CC
InChIInChI=1S/C14H26N6/c1-7-9-17-11(15)13(3,4)19-20-14(5,6)12(16)18-10-8-2/h7-10H,1-6H3,(H2,15,17)(H2,16,18)/b9-7?,10-8?,20-19+
InChIKeyBLVFIJKHYZOZNB-OCOAQKAFSA-N
MW278.40 g/mol
LogP2.78
Rot. Bonds6

About 2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide

2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide (PubChem CID 154121266) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide.

Molecular Properties

Compound Name2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide
PubChem CID154121266
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide
SMILESCC=C/N=C(\N)C(C)(C)/N=N/C(C)(C)/C(N)=N/C=CC
InChIInChI=1S/C14H26N6/c1-7-9-17-11(15)13(3,4)19-20-14(5,6)12(16)18-10-8-2/h7-10H,1-6H3,(H2,15,17)(H2,16,18)/b9-7?,10-8?,20-19+
InChIKeyBLVFIJKHYZOZNB-OCOAQKAFSA-N
XLogP2.78
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[1-amino-2-[(1-amino-1-azaniumylidene-2-methylpropan-2-yl)diazenyl]-2-methylpropylidene]azanium
CID 24848207
(Z)-4-[(Z)-prop-1-enyl]iminopent-2-en-2-amine
CID 88874705
2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine
CID 155014494
2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride
CID 18769831
2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 156522568
2-[[1-amino-1-(4-aminophenyl)imino-2-methylpropan-2-yl]diazenyl]-N'-(4-aminophenyl)-2-methylpropanimidamide;trihydrochloride
CID 139896987
1,1,1-trifluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 143380031
2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide
CID 54095971
N'-[(Z)-prop-1-enyl]benzenecarboximidamide
CID 137386486
(Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]imino-1-pyrimidin-2-ylpent-1-en-1-amine
CID 170033344
(Z)-N-[(E)-prop-1-enyl]pent-3-en-2-imine
CID 143911032
trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium
CID 170257532

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide?
The IUPAC name of 2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide (CID 154121266) is 2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide.
What is the SMILES notation for 2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide?
The canonical SMILES for 2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide is CC=C/N=C(\N)C(C)(C)/N=N/C(C)(C)/C(N)=N/C=CC.
What is the InChIKey of 2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide?
The InChIKey is BLVFIJKHYZOZNB-OCOAQKAFSA-N. The full InChI is InChI=1S/C14H26N6/c1-7-9-17-11(15)13(3,4)19-20-14(5,6)12(16)18-10-8-2/h7-10H,1-6H3,(H2,15,17)(H2,16,18)/b9-7?,10-8?,20-19+.
What are the key properties of 2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide?
2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide has a molecular weight of 278.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methyl-1-prop-1-enyliminopropan-2-yl)diazenyl]-2-methyl-N'-prop-1-enylpropanimidamide is sourced from PubChem (CID 154121266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).