2-methyl-5-(oxolan-2-yl)pent-1-en-3-amine

C10H19NO — CID 105005322

IUPAC2-methyl-5-(oxolan-2-yl)pent-1-en-3-amine
SMILESC=C(C)C(N)CCC1CCCO1
InChIInChI=1S/C10H19NO/c1-8(2)10(11)6-5-9-4-3-7-12-9/h9-10H,1,3-7,11H2,2H3
InChIKeyQYQYKHIUFXUKRN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds4

About 2-methyl-5-(oxolan-2-yl)pent-1-en-3-amine

2-methyl-5-(oxolan-2-yl)pent-1-en-3-amine (PubChem CID 105005322) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-5-(oxolan-2-yl)pent-1-en-3-amine.

Molecular Properties

Compound Name2-methyl-5-(oxolan-2-yl)pent-1-en-3-amine
PubChem CID105005322
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-5-(oxolan-2-yl)pent-1-en-3-amine
SMILESC=C(C)C(N)CCC1CCCO1
InChIInChI=1S/C10H19NO/c1-8(2)10(11)6-5-9-4-3-7-12-9/h9-10H,1,3-7,11H2,2H3
InChIKeyQYQYKHIUFXUKRN-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
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

(2R)-5-amino-6-methylideneoctan-2-ol;ethane
CID 145401106
1-[(2R)-oxolan-2-yl]hex-5-en-3-amine
CID 167351391
1-[(2S)-oxolan-2-yl]hex-5-en-3-amine
CID 167351449
1-(Oxolan-2-yl)pent-4-en-2-amine
CID 61380136
1-(Cyclopenten-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953543
1-(Oxolan-2-yl)hept-6-en-2-amine
CID 64297839
1-(Oxolan-2-yl)hex-5-en-2-amine
CID 64297840
1-(cyclohexen-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156043
1-(Cyclopenten-1-yl)-2-(oxolan-2-yl)ethanamine
CID 65156098
1-(Cyclopenten-1-yl)-3-(oxolan-2-yl)propan-1-amine
CID 65156146
1-(cyclopenten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156194
1-(cyclohepten-1-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156346

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxolan-2-yl)pent-1-en-3-amine?
The IUPAC name of 2-methyl-5-(oxolan-2-yl)pent-1-en-3-amine (CID 105005322) is 2-methyl-5-(oxolan-2-yl)pent-1-en-3-amine.
What is the SMILES notation for 2-methyl-5-(oxolan-2-yl)pent-1-en-3-amine?
The canonical SMILES for 2-methyl-5-(oxolan-2-yl)pent-1-en-3-amine is C=C(C)C(N)CCC1CCCO1.
What is the InChIKey of 2-methyl-5-(oxolan-2-yl)pent-1-en-3-amine?
The InChIKey is QYQYKHIUFXUKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)10(11)6-5-9-4-3-7-12-9/h9-10H,1,3-7,11H2,2H3.
What are the key properties of 2-methyl-5-(oxolan-2-yl)pent-1-en-3-amine?
2-methyl-5-(oxolan-2-yl)pent-1-en-3-amine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxolan-2-yl)pent-1-en-3-amine is sourced from PubChem (CID 105005322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).