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

C10H19NO — CID 79178183

IUPAC3-methyl-1-(oxan-4-yl)but-2-en-1-amine
SMILESCC(C)=CC(N)C1CCOCC1
InChIInChI=1S/C10H19NO/c1-8(2)7-10(11)9-3-5-12-6-4-9/h7,9-10H,3-6,11H2,1-2H3
InChIKeyAKCKDFKEFWKOGE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.71
Rot. Bonds2

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

3-methyl-1-(oxan-4-yl)but-2-en-1-amine (PubChem CID 79178183) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-yl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-yl)but-2-en-1-amine
PubChem CID79178183
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-1-(oxan-4-yl)but-2-en-1-amine
SMILESCC(C)=CC(N)C1CCOCC1
InChIInChI=1S/C10H19NO/c1-8(2)7-10(11)9-3-5-12-6-4-9/h7,9-10H,3-6,11H2,1-2H3
InChIKeyAKCKDFKEFWKOGE-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

1-(Oxan-4-yl)prop-2-en-1-amine
CID 65589605
CID 70209950
CID 70209950
Cyclohexa-1,5-dien-1-yl(oxan-4-yl)methanamine
CID 89509648
1-(Oxan-4-yl)cyclohexa-2,5-diene-1,4-diamine
CID 118936316
2-Ethylidene-1-(oxan-4-yl)pent-3-en-1-amine
CID 123827168
(3R)-5-ethoxy-3-[(Z)-prop-1-enyl]hepta-5,6-dien-2-amine
CID 124095390
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
(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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-yl)but-2-en-1-amine?
The IUPAC name of 3-methyl-1-(oxan-4-yl)but-2-en-1-amine (CID 79178183) is 3-methyl-1-(oxan-4-yl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-1-(oxan-4-yl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-1-(oxan-4-yl)but-2-en-1-amine is CC(C)=CC(N)C1CCOCC1.
What is the InChIKey of 3-methyl-1-(oxan-4-yl)but-2-en-1-amine?
The InChIKey is AKCKDFKEFWKOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)7-10(11)9-3-5-12-6-4-9/h7,9-10H,3-6,11H2,1-2H3.
What are the key properties of 3-methyl-1-(oxan-4-yl)but-2-en-1-amine?
3-methyl-1-(oxan-4-yl)but-2-en-1-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-1-(oxan-4-yl)but-2-en-1-amine is sourced from PubChem (CID 79178183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).