3,3-dimethylhexa-4,5-diene-1,4-diamine

C8H16N2 — CID 126596352

IUPAC3,3-dimethylhexa-4,5-diene-1,4-diamine
SMILESC=C=C(N)C(C)(C)CCN
InChIInChI=1S/C8H16N2/c1-4-7(10)8(2,3)5-6-9/h1,5-6,9-10H2,2-3H3
InChIKeyKUSDTFKMNRRSNX-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.99
Rot. Bonds3

About 3,3-dimethylhexa-4,5-diene-1,4-diamine

3,3-dimethylhexa-4,5-diene-1,4-diamine (PubChem CID 126596352) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3,3-dimethylhexa-4,5-diene-1,4-diamine.

Molecular Properties

Compound Name3,3-dimethylhexa-4,5-diene-1,4-diamine
PubChem CID126596352
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3,3-dimethylhexa-4,5-diene-1,4-diamine
SMILESC=C=C(N)C(C)(C)CCN
InChIInChI=1S/C8H16N2/c1-4-7(10)8(2,3)5-6-9/h1,5-6,9-10H2,2-3H3
InChIKeyKUSDTFKMNRRSNX-UHFFFAOYSA-N
XLogP0.99
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylhexa-4,5-diene-1,4-diamine?
The IUPAC name of 3,3-dimethylhexa-4,5-diene-1,4-diamine (CID 126596352) is 3,3-dimethylhexa-4,5-diene-1,4-diamine.
What is the SMILES notation for 3,3-dimethylhexa-4,5-diene-1,4-diamine?
The canonical SMILES for 3,3-dimethylhexa-4,5-diene-1,4-diamine is C=C=C(N)C(C)(C)CCN.
What is the InChIKey of 3,3-dimethylhexa-4,5-diene-1,4-diamine?
The InChIKey is KUSDTFKMNRRSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-7(10)8(2,3)5-6-9/h1,5-6,9-10H2,2-3H3.
What are the key properties of 3,3-dimethylhexa-4,5-diene-1,4-diamine?
3,3-dimethylhexa-4,5-diene-1,4-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylhexa-4,5-diene-1,4-diamine is sourced from PubChem (CID 126596352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).