N,N-dimethyl-1-[(Z)-[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine

C11H20N2 — CID 144628996

IUPACN,N-dimethyl-1-[(Z)-[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine
SMILESC=C(/N=C\C(=C/C)C(C)C)N(C)C
InChIInChI=1S/C11H20N2/c1-7-11(9(2)3)8-12-10(4)13(5)6/h7-9H,4H2,1-3,5-6H3/b11-7+,12-8-
InChIKeyIJISNTZQQIYSQA-RLCSYUECSA-N
MW180.29 g/mol
LogP2.69
Rot. Bonds4

About N,N-dimethyl-1-[(Z)-[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine

N,N-dimethyl-1-[(Z)-[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine (PubChem CID 144628996) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N,N-dimethyl-1-[(Z)-[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(Z)-[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine
PubChem CID144628996
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN,N-dimethyl-1-[(Z)-[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine
SMILESC=C(/N=C\C(=C/C)C(C)C)N(C)C
InChIInChI=1S/C11H20N2/c1-7-11(9(2)3)8-12-10(4)13(5)6/h7-9H,4H2,1-3,5-6H3/b11-7+,12-8-
InChIKeyIJISNTZQQIYSQA-RLCSYUECSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine
CID 91454120
3,4-Dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium
CID 91465705
N,N-dimethyl-3-azabicyclo[4.1.1]octa-1(7),2,4-trien-4-amine
CID 118946187
3-methyl-2-methylidene-N-pent-2-en-2-ylbutan-1-imine
CID 123529950
diethylamino-dimethyl-(6-methyl-4H-azepin-2-yl)azanium
CID 123610038
N,N-dimethyl-1-[[(2Z)-2-methylhexa-2,5-dienylidene]amino]methanamine
CID 123667060
N,N,5-trimethyl-2,3-dihydropyridin-2-amine
CID 129180692
(4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine
CID 130224206
(Z)-2-propan-2-yl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 130320607
(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine
CID 131969535
N'-methyl-N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide
CID 132011678
3-methyl-2-methylidene-N-[(Z)-pent-2-en-3-yl]butan-1-imine
CID 134341615

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(Z)-[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine?
The IUPAC name of N,N-dimethyl-1-[(Z)-[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine (CID 144628996) is N,N-dimethyl-1-[(Z)-[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine.
What is the SMILES notation for N,N-dimethyl-1-[(Z)-[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine?
The canonical SMILES for N,N-dimethyl-1-[(Z)-[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine is C=C(/N=C\C(=C/C)C(C)C)N(C)C.
What is the InChIKey of N,N-dimethyl-1-[(Z)-[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine?
The InChIKey is IJISNTZQQIYSQA-RLCSYUECSA-N. The full InChI is InChI=1S/C11H20N2/c1-7-11(9(2)3)8-12-10(4)13(5)6/h7-9H,4H2,1-3,5-6H3/b11-7+,12-8-.
What are the key properties of N,N-dimethyl-1-[(Z)-[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine?
N,N-dimethyl-1-[(Z)-[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine has a molecular weight of 180.29 g/mol, XLogP of 2.69, 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-[(Z)-[(Z)-2-propan-2-ylbut-2-enylidene]amino]ethenamine is sourced from PubChem (CID 144628996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).