ethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine

C11H22N2 — CID 156819684

IUPACethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine
SMILESC=N/C(=C\C(=C)C)CN(C)C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-8(2)6-9(10-3)7-11(4)5;1-2/h6H,1,3,7H2,2,4-5H3;1-2H3/b9-6-;
InChIKeyNZXZEFLBDVQCKK-BORNJIKYSA-N
MW182.31 g/mol
LogP2.73
Rot. Bonds4

About ethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine

ethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine (PubChem CID 156819684) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine
PubChem CID156819684
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine
SMILESC=N/C(=C\C(=C)C)CN(C)C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-8(2)6-9(10-3)7-11(4)5;1-2/h6H,1,3,7H2,2,4-5H3;1-2H3/b9-6-;
InChIKeyNZXZEFLBDVQCKK-BORNJIKYSA-N
XLogP2.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.73
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 ethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine?
The IUPAC name of ethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine (CID 156819684) is ethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine.
What is the SMILES notation for ethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine?
The canonical SMILES for ethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine is C=N/C(=C\C(=C)C)CN(C)C.CC.
What is the InChIKey of ethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine?
The InChIKey is NZXZEFLBDVQCKK-BORNJIKYSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-8(2)6-9(10-3)7-11(4)5;1-2/h6H,1,3,7H2,2,4-5H3;1-2H3/b9-6-;.
What are the key properties of ethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine?
ethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-N,N,4-trimethyl-2-(methylideneamino)penta-2,4-dien-1-amine is sourced from PubChem (CID 156819684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).