(Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine

C20H41N — CID 129168503

IUPAC(Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine
SMILESCCCCC(C(C)CCC)C(C)(C)/C(C)=C\N(CC)CC
InChIInChI=1S/C20H41N/c1-9-13-15-19(17(5)14-10-2)20(7,8)18(6)16-21(11-3)12-4/h16-17,19H,9-15H2,1-8H3/b18-16-
InChIKeyJUPBQARLTQTUFP-VLGSPTGOSA-N
MW295.56 g/mol
LogP6.50
Rot. Bonds11

About (Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine

(Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine (PubChem CID 129168503) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is (Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine
PubChem CID129168503
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name(Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine
SMILESCCCCC(C(C)CCC)C(C)(C)/C(C)=C\N(CC)CC
InChIInChI=1S/C20H41N/c1-9-13-15-19(17(5)14-10-2)20(7,8)18(6)16-21(11-3)12-4/h16-17,19H,9-15H2,1-8H3/b18-16-
InChIKeyJUPBQARLTQTUFP-VLGSPTGOSA-N
XLogP6.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine?
The IUPAC name of (Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine (CID 129168503) is (Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine.
What is the SMILES notation for (Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine?
The canonical SMILES for (Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine is CCCCC(C(C)CCC)C(C)(C)/C(C)=C\N(CC)CC.
What is the InChIKey of (Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine?
The InChIKey is JUPBQARLTQTUFP-VLGSPTGOSA-N. The full InChI is InChI=1S/C20H41N/c1-9-13-15-19(17(5)14-10-2)20(7,8)18(6)16-21(11-3)12-4/h16-17,19H,9-15H2,1-8H3/b18-16-.
What are the key properties of (Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine?
(Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine has a molecular weight of 295.56 g/mol, XLogP of 6.50, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine is sourced from PubChem (CID 129168503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).