(Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine

C8H16N2 — CID 89209473

IUPAC(Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine
SMILESC/N=C(C)/C(=C\N)C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8(5-9)7(3)10-4/h5-6H,9H2,1-4H3/b8-5-,10-7+
InChIKeyMHSINBYNWSIYII-OEPUHGBTSA-N
MW140.23 g/mol
LogP1.58
Rot. Bonds2

About (Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine

(Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine (PubChem CID 89209473) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine
PubChem CID89209473
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine
SMILESC/N=C(C)/C(=C\N)C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8(5-9)7(3)10-4/h5-6H,9H2,1-4H3/b8-5-,10-7+
InChIKeyMHSINBYNWSIYII-OEPUHGBTSA-N
XLogP1.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine
CID 170635943
(E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine
CID 177328070
(E)-2-methyl-3-methyliminobut-1-en-1-amine
CID 88882934
3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
CID 90796579
(Z)-4-methyl-3-[(Z)-prop-1-enyl]iminopent-1-en-1-amine
CID 126486920
6-Methyl-5-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene
CID 129159219
5,6-Di(propan-2-yl)-1,4-diazacyclohepta-1,2,4,6-tetraene
CID 129159227
5-Methyl-6-propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene
CID 130250637
N-[(E)-2-ethyl-3-methylbut-1-enyl]propan-2-imine
CID 130320550
(Z)-2,4-dimethyl-3-propan-2-yliminopent-1-en-1-amine
CID 131996296
3-N,5-dimethyl-4-methylidenehexane-2,3-diimine
CID 132198255
ethane;(3Z)-3-[(methylideneamino)methylidene]pentan-2-imine
CID 142091828

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine?
The IUPAC name of (Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine (CID 89209473) is (Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine is C/N=C(C)/C(=C\N)C(C)C.
What is the InChIKey of (Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine?
The InChIKey is MHSINBYNWSIYII-OEPUHGBTSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)8(5-9)7(3)10-4/h5-6H,9H2,1-4H3/b8-5-,10-7+.
What are the key properties of (Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine?
(Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine is sourced from PubChem (CID 89209473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).