(Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine

C11H23N3 — CID 164911644

IUPAC(Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine
SMILESCC(=N\CCN(C)C)/C(=C\N)C(C)C
InChIInChI=1S/C11H23N3/c1-9(2)11(8-12)10(3)13-6-7-14(4)5/h8-9H,6-7,12H2,1-5H3/b11-8-,13-10+
InChIKeyBFGRCHQOJOJNGB-HIIDVJQZSA-N
MW197.33 g/mol
LogP1.51
Rot. Bonds5

About (Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine

(Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine (PubChem CID 164911644) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine
PubChem CID164911644
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine
SMILESCC(=N\CCN(C)C)/C(=C\N)C(C)C
InChIInChI=1S/C11H23N3/c1-9(2)11(8-12)10(3)13-6-7-14(4)5/h8-9H,6-7,12H2,1-5H3/b11-8-,13-10+
InChIKeyBFGRCHQOJOJNGB-HIIDVJQZSA-N
XLogP1.51
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine?
The IUPAC name of (Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine (CID 164911644) is (Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine is CC(=N\CCN(C)C)/C(=C\N)C(C)C.
What is the InChIKey of (Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine?
The InChIKey is BFGRCHQOJOJNGB-HIIDVJQZSA-N. The full InChI is InChI=1S/C11H23N3/c1-9(2)11(8-12)10(3)13-6-7-14(4)5/h8-9H,6-7,12H2,1-5H3/b11-8-,13-10+.
What are the key properties of (Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine?
(Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine has a molecular weight of 197.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine is sourced from PubChem (CID 164911644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).