(3E)-3-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-N-prop-1-en-2-ylpenta-1,3-dien-2-amine

C14H24N2 — CID 167200065

IUPAC(3E)-3-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-N-prop-1-en-2-ylpenta-1,3-dien-2-amine
SMILESC=C(C)NC(=C)C(=C\C)/C(C)=N/CC(C)C
InChIInChI=1S/C14H24N2/c1-8-14(13(7)16-11(4)5)12(6)15-9-10(2)3/h8,10,16H,4,7,9H2,1-3,5-6H3/b14-8-,15-12+
InChIKeyLEJNGPCXSPBEIU-GDFNFBHJSA-N
MW220.36 g/mol
LogP3.69
Rot. Bonds6

About (3E)-3-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-N-prop-1-en-2-ylpenta-1,3-dien-2-amine

(3E)-3-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-N-prop-1-en-2-ylpenta-1,3-dien-2-amine (PubChem CID 167200065) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (3E)-3-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-N-prop-1-en-2-ylpenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-N-prop-1-en-2-ylpenta-1,3-dien-2-amine
PubChem CID167200065
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(3E)-3-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-N-prop-1-en-2-ylpenta-1,3-dien-2-amine
SMILESC=C(C)NC(=C)C(=C\C)/C(C)=N/CC(C)C
InChIInChI=1S/C14H24N2/c1-8-14(13(7)16-11(4)5)12(6)15-9-10(2)3/h8,10,16H,4,7,9H2,1-3,5-6H3/b14-8-,15-12+
InChIKeyLEJNGPCXSPBEIU-GDFNFBHJSA-N
XLogP3.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-N-prop-1-en-2-ylpenta-1,3-dien-2-amine?
The IUPAC name of (3E)-3-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-N-prop-1-en-2-ylpenta-1,3-dien-2-amine (CID 167200065) is (3E)-3-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-N-prop-1-en-2-ylpenta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-3-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-N-prop-1-en-2-ylpenta-1,3-dien-2-amine?
The canonical SMILES for (3E)-3-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-N-prop-1-en-2-ylpenta-1,3-dien-2-amine is C=C(C)NC(=C)C(=C\C)/C(C)=N/CC(C)C.
What is the InChIKey of (3E)-3-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-N-prop-1-en-2-ylpenta-1,3-dien-2-amine?
The InChIKey is LEJNGPCXSPBEIU-GDFNFBHJSA-N. The full InChI is InChI=1S/C14H24N2/c1-8-14(13(7)16-11(4)5)12(6)15-9-10(2)3/h8,10,16H,4,7,9H2,1-3,5-6H3/b14-8-,15-12+.
What are the key properties of (3E)-3-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-N-prop-1-en-2-ylpenta-1,3-dien-2-amine?
(3E)-3-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-N-prop-1-en-2-ylpenta-1,3-dien-2-amine has a molecular weight of 220.36 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[C-methyl-N-(2-methylpropyl)carbonimidoyl]-N-prop-1-en-2-ylpenta-1,3-dien-2-amine is sourced from PubChem (CID 167200065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).