2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine

C14H19ClN2 — CID 123884752

IUPAC2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine
SMILESC=CC=C(C)C(C=C)=NN(C=C(C)Cl)C(=C)C
InChIInChI=1S/C14H19ClN2/c1-7-9-12(5)14(8-2)16-17(11(3)4)10-13(6)15/h7-10H,1-3H2,4-6H3
InChIKeyUSBMLJZFPDDHDR-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.60
Rot. Bonds6

About 2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine

2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine (PubChem CID 123884752) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine
PubChem CID123884752
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine
SMILESC=CC=C(C)C(C=C)=NN(C=C(C)Cl)C(=C)C
InChIInChI=1S/C14H19ClN2/c1-7-9-12(5)14(8-2)16-17(11(3)4)10-13(6)15/h7-10H,1-3H2,4-6H3
InChIKeyUSBMLJZFPDDHDR-UHFFFAOYSA-N
XLogP4.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-methyl-N-[(Z)-3-methylbut-3-en-2-ylideneamino]cyclohexa-1,3-dien-1-amine
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1-Methyl-6-methylidene-3-prop-1-en-2-ylpyridazine
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N-methyl-N-[(E)-(3-methylcyclohexa-2,4-dien-1-ylidene)amino]ethanamine
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3-chloro-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazine;ethane
CID 144433308
ethane;N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]ethanamine
CID 145680456
8-Chloro-7-methyl-2-propyl-6,7-dihydropyridazino[1,6-a]azepine
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine?
The IUPAC name of 2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine (CID 123884752) is 2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine.
What is the SMILES notation for 2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine?
The canonical SMILES for 2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine is C=CC=C(C)C(C=C)=NN(C=C(C)Cl)C(=C)C.
What is the InChIKey of 2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine?
The InChIKey is USBMLJZFPDDHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-7-9-12(5)14(8-2)16-17(11(3)4)10-13(6)15/h7-10H,1-3H2,4-6H3.
What are the key properties of 2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine?
2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine has a molecular weight of 250.77 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine is sourced from PubChem (CID 123884752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).