3,3-dimethyloct-6-yn-4-amine

C10H19N — CID 115819865

IUPAC3,3-dimethyloct-6-yn-4-amine
SMILESCC#CCC(N)C(C)(C)CC
InChIInChI=1S/C10H19N/c1-5-7-8-9(11)10(3,4)6-2/h9H,6,8,11H2,1-4H3
InChIKeyXCTDPXXYWZWJLT-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.16
Rot. Bonds3

About 3,3-dimethyloct-6-yn-4-amine

3,3-dimethyloct-6-yn-4-amine (PubChem CID 115819865) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3,3-dimethyloct-6-yn-4-amine.

Molecular Properties

Compound Name3,3-dimethyloct-6-yn-4-amine
PubChem CID115819865
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3,3-dimethyloct-6-yn-4-amine
SMILESCC#CCC(N)C(C)(C)CC
InChIInChI=1S/C10H19N/c1-5-7-8-9(11)10(3,4)6-2/h9H,6,8,11H2,1-4H3
InChIKeyXCTDPXXYWZWJLT-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyloct-6-yn-4-amine?
The IUPAC name of 3,3-dimethyloct-6-yn-4-amine (CID 115819865) is 3,3-dimethyloct-6-yn-4-amine.
What is the SMILES notation for 3,3-dimethyloct-6-yn-4-amine?
The canonical SMILES for 3,3-dimethyloct-6-yn-4-amine is CC#CCC(N)C(C)(C)CC.
What is the InChIKey of 3,3-dimethyloct-6-yn-4-amine?
The InChIKey is XCTDPXXYWZWJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-7-8-9(11)10(3,4)6-2/h9H,6,8,11H2,1-4H3.
What are the key properties of 3,3-dimethyloct-6-yn-4-amine?
3,3-dimethyloct-6-yn-4-amine has a molecular weight of 153.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyloct-6-yn-4-amine is sourced from PubChem (CID 115819865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).