(Z)-3-(2,2-dimethylpropyl)-4-ethyl-4-methyloct-2-en-2-amine

C16H33N — CID 146640762

IUPAC(Z)-3-(2,2-dimethylpropyl)-4-ethyl-4-methyloct-2-en-2-amine
SMILESCCCCC(C)(CC)/C(CC(C)(C)C)=C(/C)N
InChIInChI=1S/C16H33N/c1-8-10-11-16(7,9-2)14(13(3)17)12-15(4,5)6/h8-12,17H2,1-7H3/b14-13-
InChIKeyJQVFYZHHKZWGKI-YPKPFQOOSA-N
MW239.45 g/mol
LogP5.26
Rot. Bonds6

About (Z)-3-(2,2-dimethylpropyl)-4-ethyl-4-methyloct-2-en-2-amine

(Z)-3-(2,2-dimethylpropyl)-4-ethyl-4-methyloct-2-en-2-amine (PubChem CID 146640762) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is (Z)-3-(2,2-dimethylpropyl)-4-ethyl-4-methyloct-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-(2,2-dimethylpropyl)-4-ethyl-4-methyloct-2-en-2-amine
PubChem CID146640762
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name(Z)-3-(2,2-dimethylpropyl)-4-ethyl-4-methyloct-2-en-2-amine
SMILESCCCCC(C)(CC)/C(CC(C)(C)C)=C(/C)N
InChIInChI=1S/C16H33N/c1-8-10-11-16(7,9-2)14(13(3)17)12-15(4,5)6/h8-12,17H2,1-7H3/b14-13-
InChIKeyJQVFYZHHKZWGKI-YPKPFQOOSA-N
XLogP5.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,2-dimethylpropyl)-4-ethyl-4-methyloct-2-en-2-amine?
The IUPAC name of (Z)-3-(2,2-dimethylpropyl)-4-ethyl-4-methyloct-2-en-2-amine (CID 146640762) is (Z)-3-(2,2-dimethylpropyl)-4-ethyl-4-methyloct-2-en-2-amine.
What is the SMILES notation for (Z)-3-(2,2-dimethylpropyl)-4-ethyl-4-methyloct-2-en-2-amine?
The canonical SMILES for (Z)-3-(2,2-dimethylpropyl)-4-ethyl-4-methyloct-2-en-2-amine is CCCCC(C)(CC)/C(CC(C)(C)C)=C(/C)N.
What is the InChIKey of (Z)-3-(2,2-dimethylpropyl)-4-ethyl-4-methyloct-2-en-2-amine?
The InChIKey is JQVFYZHHKZWGKI-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H33N/c1-8-10-11-16(7,9-2)14(13(3)17)12-15(4,5)6/h8-12,17H2,1-7H3/b14-13-.
What are the key properties of (Z)-3-(2,2-dimethylpropyl)-4-ethyl-4-methyloct-2-en-2-amine?
(Z)-3-(2,2-dimethylpropyl)-4-ethyl-4-methyloct-2-en-2-amine has a molecular weight of 239.45 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,2-dimethylpropyl)-4-ethyl-4-methyloct-2-en-2-amine is sourced from PubChem (CID 146640762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).