2,2,4-trimethylhexa-4,5-dien-1-amine

C9H17N — CID 139399147

IUPAC2,2,4-trimethylhexa-4,5-dien-1-amine
SMILESC=C=C(C)CC(C)(C)CN
InChIInChI=1S/C9H17N/c1-5-8(2)6-9(3,4)7-10/h1,6-7,10H2,2-4H3
InChIKeyAPDVUIVBPPTZKZ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.09
Rot. Bonds3

About 2,2,4-trimethylhexa-4,5-dien-1-amine

2,2,4-trimethylhexa-4,5-dien-1-amine (PubChem CID 139399147) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2,2,4-trimethylhexa-4,5-dien-1-amine.

Molecular Properties

Compound Name2,2,4-trimethylhexa-4,5-dien-1-amine
PubChem CID139399147
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2,2,4-trimethylhexa-4,5-dien-1-amine
SMILESC=C=C(C)CC(C)(C)CN
InChIInChI=1S/C9H17N/c1-5-8(2)6-9(3,4)7-10/h1,6-7,10H2,2-4H3
InChIKeyAPDVUIVBPPTZKZ-UHFFFAOYSA-N
XLogP2.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethylhexa-4,5-dien-1-amine?
The IUPAC name of 2,2,4-trimethylhexa-4,5-dien-1-amine (CID 139399147) is 2,2,4-trimethylhexa-4,5-dien-1-amine.
What is the SMILES notation for 2,2,4-trimethylhexa-4,5-dien-1-amine?
The canonical SMILES for 2,2,4-trimethylhexa-4,5-dien-1-amine is C=C=C(C)CC(C)(C)CN.
What is the InChIKey of 2,2,4-trimethylhexa-4,5-dien-1-amine?
The InChIKey is APDVUIVBPPTZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8(2)6-9(3,4)7-10/h1,6-7,10H2,2-4H3.
What are the key properties of 2,2,4-trimethylhexa-4,5-dien-1-amine?
2,2,4-trimethylhexa-4,5-dien-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethylhexa-4,5-dien-1-amine is sourced from PubChem (CID 139399147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).