(1Z,3Z)-3-[(4,4-dimethylpiperidin-2-yl)methyl]-N,N-dimethylpenta-1,3-dien-1-amine;ethane;propane

C20H42N2 — CID 143625055

IUPAC(1Z,3Z)-3-[(4,4-dimethylpiperidin-2-yl)methyl]-N,N-dimethylpenta-1,3-dien-1-amine;ethane;propane
SMILESC/C=C(\C=C/N(C)C)CC1CC(C)(C)CCN1.CC.CCC
InChIInChI=1S/C15H28N2.C3H8.C2H6/c1-6-13(7-10-17(4)5)11-14-12-15(2,3)8-9-16-14;1-3-2;1-2/h6-7,10,14,16H,8-9,11-12H2,1-5H3;3H2,1-2H3;1-2H3/b10-7-,13-6+;;
InChIKeyYYAKPFOUAGXLPQ-CYHXQLGOSA-N
MW310.57 g/mol
LogP5.62
Rot. Bonds4

About (1Z,3Z)-3-[(4,4-dimethylpiperidin-2-yl)methyl]-N,N-dimethylpenta-1,3-dien-1-amine;ethane;propane

(1Z,3Z)-3-[(4,4-dimethylpiperidin-2-yl)methyl]-N,N-dimethylpenta-1,3-dien-1-amine;ethane;propane (PubChem CID 143625055) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is (1Z,3Z)-3-[(4,4-dimethylpiperidin-2-yl)methyl]-N,N-dimethylpenta-1,3-dien-1-amine;ethane;propane.

Molecular Properties

Compound Name(1Z,3Z)-3-[(4,4-dimethylpiperidin-2-yl)methyl]-N,N-dimethylpenta-1,3-dien-1-amine;ethane;propane
PubChem CID143625055
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name(1Z,3Z)-3-[(4,4-dimethylpiperidin-2-yl)methyl]-N,N-dimethylpenta-1,3-dien-1-amine;ethane;propane
SMILESC/C=C(\C=C/N(C)C)CC1CC(C)(C)CCN1.CC.CCC
InChIInChI=1S/C15H28N2.C3H8.C2H6/c1-6-13(7-10-17(4)5)11-14-12-15(2,3)8-9-16-14;1-3-2;1-2/h6-7,10,14,16H,8-9,11-12H2,1-5H3;3H2,1-2H3;1-2H3/b10-7-,13-6+;;
InChIKeyYYAKPFOUAGXLPQ-CYHXQLGOSA-N
XLogP5.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-3-[(4,4-dimethylpiperidin-2-yl)methyl]-N,N-dimethylpenta-1,3-dien-1-amine;ethane;propane?
The IUPAC name of (1Z,3Z)-3-[(4,4-dimethylpiperidin-2-yl)methyl]-N,N-dimethylpenta-1,3-dien-1-amine;ethane;propane (CID 143625055) is (1Z,3Z)-3-[(4,4-dimethylpiperidin-2-yl)methyl]-N,N-dimethylpenta-1,3-dien-1-amine;ethane;propane.
What is the SMILES notation for (1Z,3Z)-3-[(4,4-dimethylpiperidin-2-yl)methyl]-N,N-dimethylpenta-1,3-dien-1-amine;ethane;propane?
The canonical SMILES for (1Z,3Z)-3-[(4,4-dimethylpiperidin-2-yl)methyl]-N,N-dimethylpenta-1,3-dien-1-amine;ethane;propane is C/C=C(\C=C/N(C)C)CC1CC(C)(C)CCN1.CC.CCC.
What is the InChIKey of (1Z,3Z)-3-[(4,4-dimethylpiperidin-2-yl)methyl]-N,N-dimethylpenta-1,3-dien-1-amine;ethane;propane?
The InChIKey is YYAKPFOUAGXLPQ-CYHXQLGOSA-N. The full InChI is InChI=1S/C15H28N2.C3H8.C2H6/c1-6-13(7-10-17(4)5)11-14-12-15(2,3)8-9-16-14;1-3-2;1-2/h6-7,10,14,16H,8-9,11-12H2,1-5H3;3H2,1-2H3;1-2H3/b10-7-,13-6+;;.
What are the key properties of (1Z,3Z)-3-[(4,4-dimethylpiperidin-2-yl)methyl]-N,N-dimethylpenta-1,3-dien-1-amine;ethane;propane?
(1Z,3Z)-3-[(4,4-dimethylpiperidin-2-yl)methyl]-N,N-dimethylpenta-1,3-dien-1-amine;ethane;propane has a molecular weight of 310.57 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3-[(4,4-dimethylpiperidin-2-yl)methyl]-N,N-dimethylpenta-1,3-dien-1-amine;ethane;propane is sourced from PubChem (CID 143625055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).