(3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine

C10H17IN2 — CID 89049676

IUPAC(3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine
SMILESC=N/C=C\C(=C/CCNC)CCI
InChIInChI=1S/C10H17IN2/c1-12-8-3-4-10(5-7-11)6-9-13-2/h4,6,9,12H,2-3,5,7-8H2,1H3/b9-6-,10-4-
InChIKeyVLAQGXIPGAJFSL-TYOMPSNXSA-N
MW292.16 g/mol
LogP2.56
Rot. Bonds7

About (3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine

(3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine (PubChem CID 89049676) has the molecular formula C10H17IN2 and a molecular weight of 292.16 g/mol. Its IUPAC name is (3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine
PubChem CID89049676
Molecular FormulaC10H17IN2
Molecular Weight292.16 g/mol
Exact Mass292.04
IUPAC Name(3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine
SMILESC=N/C=C\C(=C/CCNC)CCI
InChIInChI=1S/C10H17IN2/c1-12-8-3-4-10(5-7-11)6-9-13-2/h4,6,9,12H,2-3,5,7-8H2,1H3/b9-6-,10-4-
InChIKeyVLAQGXIPGAJFSL-TYOMPSNXSA-N
XLogP2.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine (CID 89049676) is (3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine is C=N/C=C\C(=C/CCNC)CCI.
What is the InChIKey of (3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine?
The InChIKey is VLAQGXIPGAJFSL-TYOMPSNXSA-N. The full InChI is InChI=1S/C10H17IN2/c1-12-8-3-4-10(5-7-11)6-9-13-2/h4,6,9,12H,2-3,5,7-8H2,1H3/b9-6-,10-4-.
What are the key properties of (3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine?
(3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine has a molecular weight of 292.16 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-(2-iodoethyl)-N-methyl-6-(methylideneamino)hexa-3,5-dien-1-amine is sourced from PubChem (CID 89049676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).