(E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine

C8H14F2N2 — CID 177328070

IUPAC(E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine
SMILESC/N=C(C(=C\N)/C(F)F)\C(C)C
InChIInChI=1S/C8H14F2N2/c1-5(2)7(12-3)6(4-11)8(9)10/h4-5,8H,11H2,1-3H3/b6-4+,12-7+
InChIKeyRVAJEMKRYHANHQ-SQXULCKUSA-N
MW176.21 g/mol
LogP1.82
Rot. Bonds3

About (E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine

(E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine (PubChem CID 177328070) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine
PubChem CID177328070
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name(E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine
SMILESC/N=C(C(=C\N)/C(F)F)\C(C)C
InChIInChI=1S/C8H14F2N2/c1-5(2)7(12-3)6(4-11)8(9)10/h4-5,8H,11H2,1-3H3/b6-4+,12-7+
InChIKeyRVAJEMKRYHANHQ-SQXULCKUSA-N
XLogP1.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.82
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

1-methyl-5-propan-2-yl-4-(trifluoromethyl)-2H-pyrimidin-2-amine
CID 70844858
(2Z)-2-[(1,1,1-trifluoropropan-2-ylideneamino)methylidene]pentan-1-imine
CID 89771740
(2Z)-2-(aminomethylidene)-N,4-dimethylpentanimidoyl fluoride
CID 156898578
(Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine
CID 156898616
3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine
CID 163897078
(E)-2-(difluoromethyl)-3-N,4-dimethyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 169901549
(Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine
CID 170635943
4,4-Difluoro-2-methyl-3-methyliminobut-1-en-1-amine
CID 173963466
4-Methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine
CID 173989356
(Z)-4,4,4-trifluoro-2-methyl-3-methyliminobut-1-en-1-amine
CID 155751639
4,4,4-Trifluoro-2-methyl-3-methyliminobut-1-en-1-amine
CID 159065807
(Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine
CID 89209473

Frequently Asked Questions

What is the IUPAC name of (E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine?
The IUPAC name of (E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine (CID 177328070) is (E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine.
What is the SMILES notation for (E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine?
The canonical SMILES for (E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine is C/N=C(C(=C\N)/C(F)F)\C(C)C.
What is the InChIKey of (E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine?
The InChIKey is RVAJEMKRYHANHQ-SQXULCKUSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-5(2)7(12-3)6(4-11)8(9)10/h4-5,8H,11H2,1-3H3/b6-4+,12-7+.
What are the key properties of (E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine?
(E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine has a molecular weight of 176.21 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(difluoromethyl)-4-methyl-3-methyliminopent-1-en-1-amine is sourced from PubChem (CID 177328070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).