(3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane

C11H22N2 — CID 143687581

IUPAC(3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane
SMILESC=C/C=C(/CCN(C)C)N=C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-5-6-9(10-2)7-8-11(3)4;1-2/h5-6H,1-2,7-8H2,3-4H3;1-2H3/b9-6-;
InChIKeyUHEWWXGCKWLRPK-BORNJIKYSA-N
MW182.31 g/mol
LogP2.73
Rot. Bonds5

About (3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane

(3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane (PubChem CID 143687581) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane.

Molecular Properties

Compound Name(3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane
PubChem CID143687581
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane
SMILESC=C/C=C(/CCN(C)C)N=C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-5-6-9(10-2)7-8-11(3)4;1-2/h5-6H,1-2,7-8H2,3-4H3;1-2H3/b9-6-;
InChIKeyUHEWWXGCKWLRPK-BORNJIKYSA-N
XLogP2.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

(3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine
CID 139471562
(1Z,3E)-N,N-dimethyl-2-(methylideneamino)hepta-1,3-dien-1-amine
CID 89245508
N,N-dimethyl-3-[(2Z,6E,8Z)-2-methyl-1-azacycloundeca-2,6,8-trien-1-yl]propan-1-amine
CID 89785419
N,N-dimethylhepta-3,5-dien-3-amine
CID 91392433
Hepta-3,5-dien-3-yl-methyl-methylideneazanium
CID 123341973
N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide
CID 123417471
N,N-dimethylocta-3,5,7-trien-3-amine
CID 123755759
Methyl-methylidene-nona-3,7-dien-3-ylazanium
CID 123909848
(3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine
CID 126539449
N-ethyl-N-[4-(methylideneamino)but-2-ynyl]cyclohepta-1,3,5-trien-1-amine
CID 130450111
(3E,5Z)-N,N-dimethylhepta-3,5-dien-3-amine
CID 132180950
ethane;N-[(3Z)-hexa-3,5-dien-3-yl]methanimine
CID 141934243

Frequently Asked Questions

What is the IUPAC name of (3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane?
The IUPAC name of (3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane (CID 143687581) is (3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane.
What is the SMILES notation for (3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane?
The canonical SMILES for (3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane is C=C/C=C(/CCN(C)C)N=C.CC.
What is the InChIKey of (3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane?
The InChIKey is UHEWWXGCKWLRPK-BORNJIKYSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-5-6-9(10-2)7-8-11(3)4;1-2/h5-6H,1-2,7-8H2,3-4H3;1-2H3/b9-6-;.
What are the key properties of (3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane?
(3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane has a molecular weight of 182.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N-dimethyl-3-(methylideneamino)hexa-3,5-dien-1-amine;ethane is sourced from PubChem (CID 143687581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).