N,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine

C11H20N2 — CID 123661365

IUPACN,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine
SMILESC=C/C=C(/C)C(C)=NC(C)N(C)C
InChIInChI=1S/C11H20N2/c1-7-8-9(2)10(3)12-11(4)13(5)6/h7-8,11H,1H2,2-6H3/b9-8-,12-10?
InChIKeyJIOMPYJLYCCHCZ-RUDQTMJKSA-N
MW180.29 g/mol
LogP2.49
Rot. Bonds4

About N,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine

N,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine (PubChem CID 123661365) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine
PubChem CID123661365
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine
SMILESC=C/C=C(/C)C(C)=NC(C)N(C)C
InChIInChI=1S/C11H20N2/c1-7-8-9(2)10(3)12-11(4)13(5)6/h7-8,11H,1H2,2-6H3/b9-8-,12-10?
InChIKeyJIOMPYJLYCCHCZ-RUDQTMJKSA-N
XLogP2.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
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 N,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine?
The IUPAC name of N,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine (CID 123661365) is N,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine.
What is the SMILES notation for N,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine?
The canonical SMILES for N,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine is C=C/C=C(/C)C(C)=NC(C)N(C)C.
What is the InChIKey of N,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine?
The InChIKey is JIOMPYJLYCCHCZ-RUDQTMJKSA-N. The full InChI is InChI=1S/C11H20N2/c1-7-8-9(2)10(3)12-11(4)13(5)6/h7-8,11H,1H2,2-6H3/b9-8-,12-10?.
What are the key properties of N,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine?
N,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine has a molecular weight of 180.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine is sourced from PubChem (CID 123661365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).