2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine

C11H21NO — CID 115898630

IUPAC2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine
SMILESC/C=C/CCNC1CCOC(C)C1
InChIInChI=1S/C11H21NO/c1-3-4-5-7-12-11-6-8-13-10(2)9-11/h3-4,10-12H,5-9H2,1-2H3/b4-3+
InChIKeyFEWHDPAWXGJYPP-ONEGZZNKSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds4

About 2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine

2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine (PubChem CID 115898630) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine
PubChem CID115898630
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine
SMILESC/C=C/CCNC1CCOC(C)C1
InChIInChI=1S/C11H21NO/c1-3-4-5-7-12-11-6-8-13-10(2)9-11/h3-4,10-12H,5-9H2,1-2H3/b4-3+
InChIKeyFEWHDPAWXGJYPP-ONEGZZNKSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine
CID 115890220
N-[(E)-pent-3-enyl]oxepan-4-amine
CID 115890191
N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide
CID 79393847
2-methyl-N-(3-propoxypropyl)oxan-4-amine
CID 82942441
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
CID 103910410
N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide
CID 103910287
2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxan-4-amine
CID 79351790
N-(3-chloro-2-methylprop-2-enyl)-2-methyloxan-4-amine
CID 106438247
3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine
CID 107428771
3-[(2-methyloxan-4-yl)amino]propane-1,2-diol
CID 66177607
N-[(E)-pent-3-enyl]thiolan-3-amine
CID 115890143
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
CID 104694550

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine?
The IUPAC name of 2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine (CID 115898630) is 2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine.
What is the SMILES notation for 2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine?
The canonical SMILES for 2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine is C/C=C/CCNC1CCOC(C)C1.
What is the InChIKey of 2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine?
The InChIKey is FEWHDPAWXGJYPP-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-7-12-11-6-8-13-10(2)9-11/h3-4,10-12H,5-9H2,1-2H3/b4-3+.
What are the key properties of 2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine?
2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine is sourced from PubChem (CID 115898630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).