3-methyl-4-(oxan-4-yl)but-3-en-2-amine

C10H19NO — CID 103091923

IUPAC3-methyl-4-(oxan-4-yl)but-3-en-2-amine
SMILESCC(=CC1CCOCC1)C(C)N
InChIInChI=1S/C10H19NO/c1-8(9(2)11)7-10-3-5-12-6-4-10/h7,9-10H,3-6,11H2,1-2H3
InChIKeyLBLUOQWGHIZTAL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.71
Rot. Bonds2

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

3-methyl-4-(oxan-4-yl)but-3-en-2-amine (PubChem CID 103091923) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-4-(oxan-4-yl)but-3-en-2-amine.

Molecular Properties

Compound Name3-methyl-4-(oxan-4-yl)but-3-en-2-amine
PubChem CID103091923
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-4-(oxan-4-yl)but-3-en-2-amine
SMILESCC(=CC1CCOCC1)C(C)N
InChIInChI=1S/C10H19NO/c1-8(9(2)11)7-10-3-5-12-6-4-10/h7,9-10H,3-6,11H2,1-2H3
InChIKeyLBLUOQWGHIZTAL-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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

CID 70209950
CID 70209950
2-Ethylidene-1-(oxan-4-yl)pent-3-en-1-amine
CID 123827168
4-[(E)-pent-2-en-2-yl]oxan-2-amine
CID 134316224
(3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine
CID 135227890
(Z)-1-ethoxy-7-methyloct-5-en-4-amine
CID 146227712
4-(2-Methylprop-1-enyl)oxan-4-amine
CID 167259061
(1R,2E,5Z)-8-(2-methoxyethyl)-4-methylcycloocta-2,5-dien-1-amine
CID 174066033
(E)-4-(oxan-4-yl)but-3-en-1-amine
CID 63968644
3-(Oxan-4-yl)prop-2-en-1-amine
CID 63968827
4-(Oxan-4-yl)but-3-en-1-amine
CID 76996984
3-Methyl-1-(oxolan-3-yl)but-2-en-1-amine
CID 79177293
3-Methyl-1-(oxan-4-yl)but-2-en-1-amine
CID 79178183

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(oxan-4-yl)but-3-en-2-amine?
The IUPAC name of 3-methyl-4-(oxan-4-yl)but-3-en-2-amine (CID 103091923) is 3-methyl-4-(oxan-4-yl)but-3-en-2-amine.
What is the SMILES notation for 3-methyl-4-(oxan-4-yl)but-3-en-2-amine?
The canonical SMILES for 3-methyl-4-(oxan-4-yl)but-3-en-2-amine is CC(=CC1CCOCC1)C(C)N.
What is the InChIKey of 3-methyl-4-(oxan-4-yl)but-3-en-2-amine?
The InChIKey is LBLUOQWGHIZTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(9(2)11)7-10-3-5-12-6-4-10/h7,9-10H,3-6,11H2,1-2H3.
What are the key properties of 3-methyl-4-(oxan-4-yl)but-3-en-2-amine?
3-methyl-4-(oxan-4-yl)but-3-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(oxan-4-yl)but-3-en-2-amine is sourced from PubChem (CID 103091923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).