(3Z,5Z,6Z)-3-methyl-5-[1-(methylideneamino)ethylidene]deca-3,6-dien-4-amine

C14H24N2 — CID 177018903

IUPAC(3Z,5Z,6Z)-3-methyl-5-[1-(methylideneamino)ethylidene]deca-3,6-dien-4-amine
SMILESC=N/C(C)=C(/C=C\CCC)C(\N)=C(/C)CC
InChIInChI=1S/C14H24N2/c1-6-8-9-10-13(12(4)16-5)14(15)11(3)7-2/h9-10H,5-8,15H2,1-4H3/b10-9-,13-12-,14-11-
InChIKeyQZOJNXPVYFDGNO-NVVYIVCDSA-N
MW220.36 g/mol
LogP3.96
Rot. Bonds6

About (3Z,5Z,6Z)-3-methyl-5-[1-(methylideneamino)ethylidene]deca-3,6-dien-4-amine

(3Z,5Z,6Z)-3-methyl-5-[1-(methylideneamino)ethylidene]deca-3,6-dien-4-amine (PubChem CID 177018903) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (3Z,5Z,6Z)-3-methyl-5-[1-(methylideneamino)ethylidene]deca-3,6-dien-4-amine.

Molecular Properties

Compound Name(3Z,5Z,6Z)-3-methyl-5-[1-(methylideneamino)ethylidene]deca-3,6-dien-4-amine
PubChem CID177018903
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(3Z,5Z,6Z)-3-methyl-5-[1-(methylideneamino)ethylidene]deca-3,6-dien-4-amine
SMILESC=N/C(C)=C(/C=C\CCC)C(\N)=C(/C)CC
InChIInChI=1S/C14H24N2/c1-6-8-9-10-13(12(4)16-5)14(15)11(3)7-2/h9-10H,5-8,15H2,1-4H3/b10-9-,13-12-,14-11-
InChIKeyQZOJNXPVYFDGNO-NVVYIVCDSA-N
XLogP3.96
TPSA38.38 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 ≤ 53.96
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 (3Z,5Z,6Z)-3-methyl-5-[1-(methylideneamino)ethylidene]deca-3,6-dien-4-amine?
The IUPAC name of (3Z,5Z,6Z)-3-methyl-5-[1-(methylideneamino)ethylidene]deca-3,6-dien-4-amine (CID 177018903) is (3Z,5Z,6Z)-3-methyl-5-[1-(methylideneamino)ethylidene]deca-3,6-dien-4-amine.
What is the SMILES notation for (3Z,5Z,6Z)-3-methyl-5-[1-(methylideneamino)ethylidene]deca-3,6-dien-4-amine?
The canonical SMILES for (3Z,5Z,6Z)-3-methyl-5-[1-(methylideneamino)ethylidene]deca-3,6-dien-4-amine is C=N/C(C)=C(/C=C\CCC)C(\N)=C(/C)CC.
What is the InChIKey of (3Z,5Z,6Z)-3-methyl-5-[1-(methylideneamino)ethylidene]deca-3,6-dien-4-amine?
The InChIKey is QZOJNXPVYFDGNO-NVVYIVCDSA-N. The full InChI is InChI=1S/C14H24N2/c1-6-8-9-10-13(12(4)16-5)14(15)11(3)7-2/h9-10H,5-8,15H2,1-4H3/b10-9-,13-12-,14-11-.
What are the key properties of (3Z,5Z,6Z)-3-methyl-5-[1-(methylideneamino)ethylidene]deca-3,6-dien-4-amine?
(3Z,5Z,6Z)-3-methyl-5-[1-(methylideneamino)ethylidene]deca-3,6-dien-4-amine has a molecular weight of 220.36 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,6Z)-3-methyl-5-[1-(methylideneamino)ethylidene]deca-3,6-dien-4-amine is sourced from PubChem (CID 177018903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).