2,2-dimethyl-4-methylidene-6-propoxyhexan-1-amine

C12H25NO — CID 166831255

IUPAC2,2-dimethyl-4-methylidene-6-propoxyhexan-1-amine
SMILESC=C(CCOCCC)CC(C)(C)CN
InChIInChI=1S/C12H25NO/c1-5-7-14-8-6-11(2)9-12(3,4)10-13/h2,5-10,13H2,1,3-4H3
InChIKeyYSMZUPQGRPVXOL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.73
Rot. Bonds8

About 2,2-dimethyl-4-methylidene-6-propoxyhexan-1-amine

2,2-dimethyl-4-methylidene-6-propoxyhexan-1-amine (PubChem CID 166831255) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,2-dimethyl-4-methylidene-6-propoxyhexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-methylidene-6-propoxyhexan-1-amine
PubChem CID166831255
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,2-dimethyl-4-methylidene-6-propoxyhexan-1-amine
SMILESC=C(CCOCCC)CC(C)(C)CN
InChIInChI=1S/C12H25NO/c1-5-7-14-8-6-11(2)9-12(3,4)10-13/h2,5-10,13H2,1,3-4H3
InChIKeyYSMZUPQGRPVXOL-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-methylidene-6-propoxyhexan-1-amine?
The IUPAC name of 2,2-dimethyl-4-methylidene-6-propoxyhexan-1-amine (CID 166831255) is 2,2-dimethyl-4-methylidene-6-propoxyhexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-methylidene-6-propoxyhexan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-methylidene-6-propoxyhexan-1-amine is C=C(CCOCCC)CC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-4-methylidene-6-propoxyhexan-1-amine?
The InChIKey is YSMZUPQGRPVXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-14-8-6-11(2)9-12(3,4)10-13/h2,5-10,13H2,1,3-4H3.
What are the key properties of 2,2-dimethyl-4-methylidene-6-propoxyhexan-1-amine?
2,2-dimethyl-4-methylidene-6-propoxyhexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-methylidene-6-propoxyhexan-1-amine is sourced from PubChem (CID 166831255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).