2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine

C10H19NO — CID 80683587

IUPAC2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine
SMILESC=C(C)C(N)C1(C)CCCCO1
InChIInChI=1S/C10H19NO/c1-8(2)9(11)10(3)6-4-5-7-12-10/h9H,1,4-7,11H2,2-3H3
InChIKeyALJPXQLPXXDHAD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds2

About 2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine

2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine (PubChem CID 80683587) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine
PubChem CID80683587
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine
SMILESC=C(C)C(N)C1(C)CCCCO1
InChIInChI=1S/C10H19NO/c1-8(2)9(11)10(3)6-4-5-7-12-10/h9H,1,4-7,11H2,2-3H3
InChIKeyALJPXQLPXXDHAD-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
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 2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine (CID 80683587) is 2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine is C=C(C)C(N)C1(C)CCCCO1.
What is the InChIKey of 2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine?
The InChIKey is ALJPXQLPXXDHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)9(11)10(3)6-4-5-7-12-10/h9H,1,4-7,11H2,2-3H3.
What are the key properties of 2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine?
2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 80683587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).