(Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine

C14H27N3 — CID 126661608

IUPAC(Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine
SMILESCC/C(C)=C(CNC)\C(C)=N\C/C(C)=C\NC
InChIInChI=1S/C14H27N3/c1-7-12(3)14(10-16-6)13(4)17-9-11(2)8-15-5/h8,15-16H,7,9-10H2,1-6H3/b11-8-,14-12-,17-13+
InChIKeyRABZKXXKYZJQGI-GSWWSBEASA-N
MW237.39 g/mol
LogP2.52
Rot. Bonds7

About (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine

(Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine (PubChem CID 126661608) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine
PubChem CID126661608
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine
SMILESCC/C(C)=C(CNC)\C(C)=N\C/C(C)=C\NC
InChIInChI=1S/C14H27N3/c1-7-12(3)14(10-16-6)13(4)17-9-11(2)8-15-5/h8,15-16H,7,9-10H2,1-6H3/b11-8-,14-12-,17-13+
InChIKeyRABZKXXKYZJQGI-GSWWSBEASA-N
XLogP2.52
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(N-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine
CID 134406693
(2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine
CID 138750425
(E)-3-(but-3-en-2-ylideneamino)-N,2-dimethylprop-2-en-1-amine;ethane
CID 142057454
Ethane;3-methyl-4,6,7,8-tetrahydropyrrolo[3,4-b]azepine
CID 143270840
ethane;(E)-N-ethenyl-4-methyl-2-methyliminohex-3-en-3-amine
CID 143699578
(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine
CID 144643391
(2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane
CID 145068829
(Z)-2-ethyl-4-imino-N-methylpent-2-en-1-amine
CID 146392550
N-ethyl-3-methyl-2-(2-methylprop-1-enylimino)but-3-en-1-amine
CID 156421134
(E)-1-N,1-N,4-N,3-tetramethyl-2-methyliminopent-3-ene-1,4-diamine
CID 156479712
(2E)-4-imino-1-N,2-dimethylhepta-2,6-diene-1,6-diamine
CID 170107411
2-(N-ethyl-C-methylcarbonimidoyl)-N'-methylprop-1-ene-1,3-diamine
CID 173888693

Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine?
The IUPAC name of (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine (CID 126661608) is (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine.
What is the SMILES notation for (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine?
The canonical SMILES for (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine is CC/C(C)=C(CNC)\C(C)=N\C/C(C)=C\NC.
What is the InChIKey of (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine?
The InChIKey is RABZKXXKYZJQGI-GSWWSBEASA-N. The full InChI is InChI=1S/C14H27N3/c1-7-12(3)14(10-16-6)13(4)17-9-11(2)8-15-5/h8,15-16H,7,9-10H2,1-6H3/b11-8-,14-12-,17-13+.
What are the key properties of (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine?
(Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-dimethyl-2-[C-methyl-N-[(Z)-2-methyl-3-(methylamino)prop-2-enyl]carbonimidoyl]pent-2-en-1-amine is sourced from PubChem (CID 126661608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).