(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine

C9H17NO — CID 82838796

IUPAC(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
SMILESC/C(=C/C1CCC(C)O1)CN
InChIInChI=1S/C9H17NO/c1-7(6-10)5-9-4-3-8(2)11-9/h5,8-9H,3-4,6,10H2,1-2H3/b7-5-
InChIKeyMYKHNCCLFKXHBR-ALCCZGGFSA-N
MW155.24 g/mol
LogP1.46
Rot. Bonds2

About (Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine

(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine (PubChem CID 82838796) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
PubChem CID82838796
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
SMILESC/C(=C/C1CCC(C)O1)CN
InChIInChI=1S/C9H17NO/c1-7(6-10)5-9-4-3-8(2)11-9/h5,8-9H,3-4,6,10H2,1-2H3/b7-5-
InChIKeyMYKHNCCLFKXHBR-ALCCZGGFSA-N
XLogP1.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.46
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 (Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
The IUPAC name of (Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine (CID 82838796) is (Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for (Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine is C/C(=C/C1CCC(C)O1)CN.
What is the InChIKey of (Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
The InChIKey is MYKHNCCLFKXHBR-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(6-10)5-9-4-3-8(2)11-9/h5,8-9H,3-4,6,10H2,1-2H3/b7-5-.
What are the key properties of (Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
(Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 82838796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).