(3E,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine

C11H20N2 — CID 139471508

IUPAC(3E,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine
SMILESC=N/C=C\C=C(/CCC)CCNC
InChIInChI=1S/C11H20N2/c1-4-6-11(8-10-13-3)7-5-9-12-2/h5,7,9,13H,2,4,6,8,10H2,1,3H3/b9-5-,11-7+
InChIKeyAOBNTNNRROEAAE-KGAZIEBHSA-N
MW180.29 g/mol
LogP2.54
Rot. Bonds7

About (3E,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine

(3E,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine (PubChem CID 139471508) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (3E,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine
PubChem CID139471508
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(3E,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine
SMILESC=N/C=C\C=C(/CCC)CCNC
InChIInChI=1S/C11H20N2/c1-4-6-11(8-10-13-3)7-5-9-12-2/h5,7,9,13H,2,4,6,8,10H2,1,3H3/b9-5-,11-7+
InChIKeyAOBNTNNRROEAAE-KGAZIEBHSA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.54
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,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine?
The IUPAC name of (3E,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine (CID 139471508) is (3E,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3E,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine?
The canonical SMILES for (3E,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine is C=N/C=C\C=C(/CCC)CCNC.
What is the InChIKey of (3E,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine?
The InChIKey is AOBNTNNRROEAAE-KGAZIEBHSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-6-11(8-10-13-3)7-5-9-12-2/h5,7,9,13H,2,4,6,8,10H2,1,3H3/b9-5-,11-7+.
What are the key properties of (3E,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine?
(3E,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine is sourced from PubChem (CID 139471508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).