3,4-dimethylhex-3-en-2-amine

C8H17N — CID 123945810

IUPAC3,4-dimethylhex-3-en-2-amine
SMILESCCC(C)=C(C)C(C)N
InChIInChI=1S/C8H17N/c1-5-6(2)7(3)8(4)9/h8H,5,9H2,1-4H3
InChIKeyYAGKYGJIHZDNSG-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.08
Rot. Bonds2

About 3,4-dimethylhex-3-en-2-amine

3,4-dimethylhex-3-en-2-amine (PubChem CID 123945810) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3,4-dimethylhex-3-en-2-amine.

Molecular Properties

Compound Name3,4-dimethylhex-3-en-2-amine
PubChem CID123945810
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3,4-dimethylhex-3-en-2-amine
SMILESCCC(C)=C(C)C(C)N
InChIInChI=1S/C8H17N/c1-5-6(2)7(3)8(4)9/h8H,5,9H2,1-4H3
InChIKeyYAGKYGJIHZDNSG-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylhex-3-en-2-amine?
The IUPAC name of 3,4-dimethylhex-3-en-2-amine (CID 123945810) is 3,4-dimethylhex-3-en-2-amine.
What is the SMILES notation for 3,4-dimethylhex-3-en-2-amine?
The canonical SMILES for 3,4-dimethylhex-3-en-2-amine is CCC(C)=C(C)C(C)N.
What is the InChIKey of 3,4-dimethylhex-3-en-2-amine?
The InChIKey is YAGKYGJIHZDNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-5-6(2)7(3)8(4)9/h8H,5,9H2,1-4H3.
What are the key properties of 3,4-dimethylhex-3-en-2-amine?
3,4-dimethylhex-3-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylhex-3-en-2-amine is sourced from PubChem (CID 123945810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).