2,2-dimethylhex-3-en-3-amine

C8H17N — CID 87564715

IUPAC2,2-dimethylhex-3-en-3-amine
SMILESCCC=C(N)C(C)(C)C
InChIInChI=1S/C8H17N/c1-5-6-7(9)8(2,3)4/h6H,5,9H2,1-4H3
InChIKeyMJXVKESWQOUQHZ-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.29
Rot. Bonds1

About 2,2-dimethylhex-3-en-3-amine

2,2-dimethylhex-3-en-3-amine (PubChem CID 87564715) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2,2-dimethylhex-3-en-3-amine.

Molecular Properties

Compound Name2,2-dimethylhex-3-en-3-amine
PubChem CID87564715
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2,2-dimethylhex-3-en-3-amine
SMILESCCC=C(N)C(C)(C)C
InChIInChI=1S/C8H17N/c1-5-6-7(9)8(2,3)4/h6H,5,9H2,1-4H3
InChIKeyMJXVKESWQOUQHZ-UHFFFAOYSA-N
XLogP2.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylhex-3-en-3-amine?
The IUPAC name of 2,2-dimethylhex-3-en-3-amine (CID 87564715) is 2,2-dimethylhex-3-en-3-amine.
What is the SMILES notation for 2,2-dimethylhex-3-en-3-amine?
The canonical SMILES for 2,2-dimethylhex-3-en-3-amine is CCC=C(N)C(C)(C)C.
What is the InChIKey of 2,2-dimethylhex-3-en-3-amine?
The InChIKey is MJXVKESWQOUQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-5-6-7(9)8(2,3)4/h6H,5,9H2,1-4H3.
What are the key properties of 2,2-dimethylhex-3-en-3-amine?
2,2-dimethylhex-3-en-3-amine has a molecular weight of 127.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhex-3-en-3-amine is sourced from PubChem (CID 87564715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).