2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine

C11H21NO — CID 102640402

IUPAC2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CN)CC1CCOCC1
InChIInChI=1S/C11H21NO/c1-3-11(2,9-12)8-10-4-6-13-7-5-10/h3,10H,1,4-9,12H2,2H3
InChIKeyAAPPRYHZNNGAJY-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.95
Rot. Bonds4

About 2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine

2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine (PubChem CID 102640402) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
PubChem CID102640402
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CN)CC1CCOCC1
InChIInChI=1S/C11H21NO/c1-3-11(2,9-12)8-10-4-6-13-7-5-10/h3,10H,1,4-9,12H2,2H3
InChIKeyAAPPRYHZNNGAJY-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 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 ≤ 51.95
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

6-Methoxy-2,2-bis(prop-2-enyl)hexan-1-amine
CID 170682423
2-Ethenyl-6-methoxy-2-methylhexan-1-amine
CID 102640436
N,2-dimethyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
CID 102640580
N-ethyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
CID 102640746
2-methyl-2-(oxan-4-ylmethyl)-N-propylbut-3-en-1-amine
CID 102640911
2-methyl-2-(oxan-4-ylmethyl)-N-propan-2-ylbut-3-en-1-amine
CID 102641073
N-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
CID 102641406
2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)but-3-en-1-amine
CID 102641571
(4-But-3-en-2-yloxan-4-yl)methanamine
CID 130514911
[3-[(E)-but-2-enyl]oxan-3-yl]methanamine
CID 130514959
(3-But-3-en-2-yloxan-3-yl)methanamine
CID 130514960
[4-(But-3-en-1-yl)oxan-4-yl]methanamine
CID 137699061

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine?
The IUPAC name of 2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine (CID 102640402) is 2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine?
The canonical SMILES for 2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine is C=CC(C)(CN)CC1CCOCC1.
What is the InChIKey of 2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine?
The InChIKey is AAPPRYHZNNGAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-11(2,9-12)8-10-4-6-13-7-5-10/h3,10H,1,4-9,12H2,2H3.
What are the key properties of 2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine?
2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine is sourced from PubChem (CID 102640402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).