2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine

C11H21NO — CID 103914879

IUPAC2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
SMILESC=C(C)CNC(C)C1CCOCC1
InChIInChI=1S/C11H21NO/c1-9(2)8-12-10(3)11-4-6-13-7-5-11/h10-12H,1,4-8H2,2-3H3
InChIKeyRRYCMKQIPUCDPI-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds4

About 2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine

2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine (PubChem CID 103914879) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
PubChem CID103914879
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
SMILESC=C(C)CNC(C)C1CCOCC1
InChIInChI=1S/C11H21NO/c1-9(2)8-12-10(3)11-4-6-13-7-5-11/h10-12H,1,4-8H2,2-3H3
InChIKeyRRYCMKQIPUCDPI-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl(1-(oxan-4-yl)ethyl)amine
CID 57526871
N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 164047064
N-(oxan-4-ylmethyl)propan-2-amine
CID 21034342
(Butan-2-yl)[(oxan-4-yl)methyl]amine
CID 61269935
N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 62384936
N-[1-(oxan-4-yl)ethyl]propan-2-amine
CID 83682919
N-[1-(oxan-4-yl)ethenyl]propan-2-amine
CID 118390777
(1R)-N-methyl-1-(oxan-4-yl)ethanamine
CID 118424085
2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine
CID 118684014
2,3-dimethyl-N-(oxan-4-ylmethyl)but-2-en-1-amine
CID 123957993
2-methyl-N-[1-(oxan-4-yl)ethyl]propan-2-amine
CID 130732557
(2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine
CID 139297014

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine (CID 103914879) is 2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine is C=C(C)CNC(C)C1CCOCC1.
What is the InChIKey of 2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine?
The InChIKey is RRYCMKQIPUCDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)8-12-10(3)11-4-6-13-7-5-11/h10-12H,1,4-8H2,2-3H3.
What are the key properties of 2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine?
2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 103914879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).