2-butan-2-yl-6-methylocta-2,4-dien-1-amine

C13H25N — CID 88882583

IUPAC2-butan-2-yl-6-methylocta-2,4-dien-1-amine
SMILESCCC(C)C=CC=C(CN)C(C)CC
InChIInChI=1S/C13H25N/c1-5-11(3)8-7-9-13(10-14)12(4)6-2/h7-9,11-12H,5-6,10,14H2,1-4H3
InChIKeyXYTQYOXJKANYGM-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.52
Rot. Bonds6

About 2-butan-2-yl-6-methylocta-2,4-dien-1-amine

2-butan-2-yl-6-methylocta-2,4-dien-1-amine (PubChem CID 88882583) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-butan-2-yl-6-methylocta-2,4-dien-1-amine.

Molecular Properties

Compound Name2-butan-2-yl-6-methylocta-2,4-dien-1-amine
PubChem CID88882583
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-butan-2-yl-6-methylocta-2,4-dien-1-amine
SMILESCCC(C)C=CC=C(CN)C(C)CC
InChIInChI=1S/C13H25N/c1-5-11(3)8-7-9-13(10-14)12(4)6-2/h7-9,11-12H,5-6,10,14H2,1-4H3
InChIKeyXYTQYOXJKANYGM-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3Z)-5-methylhepta-1,3-dien-1-amine
CID 144815707
3,6-dimethyloct-4-ene
CID 73165576
(1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine
CID 144815854
(2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol
CID 24773196
(4E,6E,8S)-4,8-dimethyldeca-4,6-dienoic acid
CID 11367593
4-ethenyl-3,8-dimethyldeca-2,4,6-triene
CID 123413794
2-benzylidene-3-methylpentan-1-amine
CID 154441203
(E,3R)-2,3,6-trimethyloct-4-en-2-ol
CID 90299782
(E)-4-methylhex-2-en-1-ol
CID 12036147
(2E,4Z)-6-methylnona-2,4-dien-2-ol
CID 142891903
1-amino-3-methylpentan-2-one;hydrochloride
CID 154878698
3,6-dimethyloct-4-ene-1,1-diol
CID 139779740

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-methylocta-2,4-dien-1-amine?
The IUPAC name of 2-butan-2-yl-6-methylocta-2,4-dien-1-amine (CID 88882583) is 2-butan-2-yl-6-methylocta-2,4-dien-1-amine.
What is the SMILES notation for 2-butan-2-yl-6-methylocta-2,4-dien-1-amine?
The canonical SMILES for 2-butan-2-yl-6-methylocta-2,4-dien-1-amine is CCC(C)C=CC=C(CN)C(C)CC.
What is the InChIKey of 2-butan-2-yl-6-methylocta-2,4-dien-1-amine?
The InChIKey is XYTQYOXJKANYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-11(3)8-7-9-13(10-14)12(4)6-2/h7-9,11-12H,5-6,10,14H2,1-4H3.
What are the key properties of 2-butan-2-yl-6-methylocta-2,4-dien-1-amine?
2-butan-2-yl-6-methylocta-2,4-dien-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-methylocta-2,4-dien-1-amine is sourced from PubChem (CID 88882583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).