4-methylidene-1-propan-2-yloxyhexan-2-amine

C10H21NO — CID 105163918

IUPAC4-methylidene-1-propan-2-yloxyhexan-2-amine
SMILESC=C(CC)CC(N)COC(C)C
InChIInChI=1S/C10H21NO/c1-5-9(4)6-10(11)7-12-8(2)3/h8,10H,4-7,11H2,1-3H3
InChIKeyOBJHXHRUXZHLPQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds6

About 4-methylidene-1-propan-2-yloxyhexan-2-amine

4-methylidene-1-propan-2-yloxyhexan-2-amine (PubChem CID 105163918) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-methylidene-1-propan-2-yloxyhexan-2-amine.

Molecular Properties

Compound Name4-methylidene-1-propan-2-yloxyhexan-2-amine
PubChem CID105163918
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-methylidene-1-propan-2-yloxyhexan-2-amine
SMILESC=C(CC)CC(N)COC(C)C
InChIInChI=1S/C10H21NO/c1-5-9(4)6-10(11)7-12-8(2)3/h8,10H,4-7,11H2,1-3H3
InChIKeyOBJHXHRUXZHLPQ-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-methylidene-1-propan-2-yloxyhexan-2-amine?
The IUPAC name of 4-methylidene-1-propan-2-yloxyhexan-2-amine (CID 105163918) is 4-methylidene-1-propan-2-yloxyhexan-2-amine.
What is the SMILES notation for 4-methylidene-1-propan-2-yloxyhexan-2-amine?
The canonical SMILES for 4-methylidene-1-propan-2-yloxyhexan-2-amine is C=C(CC)CC(N)COC(C)C.
What is the InChIKey of 4-methylidene-1-propan-2-yloxyhexan-2-amine?
The InChIKey is OBJHXHRUXZHLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-9(4)6-10(11)7-12-8(2)3/h8,10H,4-7,11H2,1-3H3.
What are the key properties of 4-methylidene-1-propan-2-yloxyhexan-2-amine?
4-methylidene-1-propan-2-yloxyhexan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-propan-2-yloxyhexan-2-amine is sourced from PubChem (CID 105163918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).