5-methyl-1-propan-2-yloxyhex-5-en-2-amine

C10H21NO — CID 105182516

IUPAC5-methyl-1-propan-2-yloxyhex-5-en-2-amine
SMILESC=C(C)CCC(N)COC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)5-6-10(11)7-12-9(3)4/h9-10H,1,5-7,11H2,2-4H3
InChIKeyYQLRWVGITCOBSZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds6

About 5-methyl-1-propan-2-yloxyhex-5-en-2-amine

5-methyl-1-propan-2-yloxyhex-5-en-2-amine (PubChem CID 105182516) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yloxyhex-5-en-2-amine.

Molecular Properties

Compound Name5-methyl-1-propan-2-yloxyhex-5-en-2-amine
PubChem CID105182516
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-methyl-1-propan-2-yloxyhex-5-en-2-amine
SMILESC=C(C)CCC(N)COC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)5-6-10(11)7-12-9(3)4/h9-10H,1,5-7,11H2,2-4H3
InChIKeyYQLRWVGITCOBSZ-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 5-methyl-1-propan-2-yloxyhex-5-en-2-amine?
The IUPAC name of 5-methyl-1-propan-2-yloxyhex-5-en-2-amine (CID 105182516) is 5-methyl-1-propan-2-yloxyhex-5-en-2-amine.
What is the SMILES notation for 5-methyl-1-propan-2-yloxyhex-5-en-2-amine?
The canonical SMILES for 5-methyl-1-propan-2-yloxyhex-5-en-2-amine is C=C(C)CCC(N)COC(C)C.
What is the InChIKey of 5-methyl-1-propan-2-yloxyhex-5-en-2-amine?
The InChIKey is YQLRWVGITCOBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)5-6-10(11)7-12-9(3)4/h9-10H,1,5-7,11H2,2-4H3.
What are the key properties of 5-methyl-1-propan-2-yloxyhex-5-en-2-amine?
5-methyl-1-propan-2-yloxyhex-5-en-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 5-methyl-1-propan-2-yloxyhex-5-en-2-amine is sourced from PubChem (CID 105182516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).