(3Z)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine

C11H21N3 — CID 139410011

IUPAC(3Z)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine
SMILESC=C(N)/C=C\C(=C)N(C)CCN(C)C
InChIInChI=1S/C11H21N3/c1-10(12)6-7-11(2)14(5)9-8-13(3)4/h6-7H,1-2,8-9,12H2,3-5H3/b7-6-
InChIKeySBCOWHVYQUKFIM-SREVYHEPSA-N
MW195.31 g/mol
LogP1.02
Rot. Bonds6

About (3Z)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine

(3Z)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine (PubChem CID 139410011) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (3Z)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine.

Molecular Properties

Compound Name(3Z)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine
PubChem CID139410011
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(3Z)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine
SMILESC=C(N)/C=C\C(=C)N(C)CCN(C)C
InChIInChI=1S/C11H21N3/c1-10(12)6-7-11(2)14(5)9-8-13(3)4/h6-7H,1-2,8-9,12H2,3-5H3/b7-6-
InChIKeySBCOWHVYQUKFIM-SREVYHEPSA-N
XLogP1.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine?
The IUPAC name of (3Z)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine (CID 139410011) is (3Z)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine.
What is the SMILES notation for (3Z)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine?
The canonical SMILES for (3Z)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine is C=C(N)/C=C\C(=C)N(C)CCN(C)C.
What is the InChIKey of (3Z)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine?
The InChIKey is SBCOWHVYQUKFIM-SREVYHEPSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(12)6-7-11(2)14(5)9-8-13(3)4/h6-7H,1-2,8-9,12H2,3-5H3/b7-6-.
What are the key properties of (3Z)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine?
(3Z)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-N-[2-(dimethylamino)ethyl]-5-N-methylhexa-1,3,5-triene-2,5-diamine is sourced from PubChem (CID 139410011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).