(Z)-2-(N-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine

C13H24N2 — CID 134406693

IUPAC(Z)-2-(N-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine
SMILESCC=C(C)/N=C(CC)/C(=C\CC)CNC
InChIInChI=1S/C13H24N2/c1-6-9-12(10-14-5)13(8-3)15-11(4)7-2/h7,9,14H,6,8,10H2,1-5H3/b11-7?,12-9-,15-13+
InChIKeyMQMRLVVTCSVXGI-SNSXCGGMSA-N
MW208.35 g/mol
LogP3.32
Rot. Bonds6

About (Z)-2-(N-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine

(Z)-2-(N-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine (PubChem CID 134406693) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (Z)-2-(N-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(N-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine
PubChem CID134406693
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(Z)-2-(N-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine
SMILESCC=C(C)/N=C(CC)/C(=C\CC)CNC
InChIInChI=1S/C13H24N2/c1-6-9-12(10-14-5)13(8-3)15-11(4)7-2/h7,9,14H,6,8,10H2,1-5H3/b11-7?,12-9-,15-13+
InChIKeyMQMRLVVTCSVXGI-SNSXCGGMSA-N
XLogP3.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine?
The IUPAC name of (Z)-2-(N-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine (CID 134406693) is (Z)-2-(N-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine.
What is the SMILES notation for (Z)-2-(N-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine?
The canonical SMILES for (Z)-2-(N-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine is CC=C(C)/N=C(CC)/C(=C\CC)CNC.
What is the InChIKey of (Z)-2-(N-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine?
The InChIKey is MQMRLVVTCSVXGI-SNSXCGGMSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-9-12(10-14-5)13(8-3)15-11(4)7-2/h7,9,14H,6,8,10H2,1-5H3/b11-7?,12-9-,15-13+.
What are the key properties of (Z)-2-(N-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine?
(Z)-2-(N-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine has a molecular weight of 208.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(N-but-2-en-2-yl-C-ethylcarbonimidoyl)-N-methylpent-2-en-1-amine is sourced from PubChem (CID 134406693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).