2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine

C15H29N3O — CID 134407543

IUPAC2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine
SMILESC=C1NCCN(CCN(C)C)/C1=C(\C)C(C)(C)OC
InChIInChI=1S/C15H29N3O/c1-12(15(3,4)19-7)14-13(2)16-8-9-18(14)11-10-17(5)6/h16H,2,8-11H2,1,3-7H3/b14-12+
InChIKeyRIONYHVZTDXZKL-WYMLVPIESA-N
MW267.42 g/mol
LogP1.67
Rot. Bonds5

About 2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine

2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 134407543) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine
PubChem CID134407543
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine
SMILESC=C1NCCN(CCN(C)C)/C1=C(\C)C(C)(C)OC
InChIInChI=1S/C15H29N3O/c1-12(15(3,4)19-7)14-13(2)16-8-9-18(14)11-10-17(5)6/h16H,2,8-11H2,1,3-7H3/b14-12+
InChIKeyRIONYHVZTDXZKL-WYMLVPIESA-N
XLogP1.67
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(1E,4Z,7Z)-6-methoxy-6-methylcycloocta-1,4,7-trien-1-yl]-N,N'-dimethylethane-1,2-diamine
CID 141993246
3-Methoxy-3-methyl-6-piperazin-1-ylcyclohexa-1,5-dien-1-amine
CID 143566789
(3E,5E)-3-methoxy-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-2-amine
CID 145324568

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine (CID 134407543) is 2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine is C=C1NCCN(CCN(C)C)/C1=C(\C)C(C)(C)OC.
What is the InChIKey of 2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is RIONYHVZTDXZKL-WYMLVPIESA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(15(3,4)19-7)14-13(2)16-8-9-18(14)11-10-17(5)6/h16H,2,8-11H2,1,3-7H3/b14-12+.
What are the key properties of 2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine?
2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 267.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(3-methoxy-3-methylbutan-2-ylidene)-3-methylidenepiperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 134407543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).