5-(oxan-2-yl)pent-1-en-3-amine

C10H19NO — CID 105000778

IUPAC5-(oxan-2-yl)pent-1-en-3-amine
SMILESC=CC(N)CCC1CCCCO1
InChIInChI=1S/C10H19NO/c1-2-9(11)6-7-10-5-3-4-8-12-10/h2,9-10H,1,3-8,11H2
InChIKeyZWWIPTSGEZXGIG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds4

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

5-(oxan-2-yl)pent-1-en-3-amine (PubChem CID 105000778) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-(oxan-2-yl)pent-1-en-3-amine.

Molecular Properties

Compound Name5-(oxan-2-yl)pent-1-en-3-amine
PubChem CID105000778
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-(oxan-2-yl)pent-1-en-3-amine
SMILESC=CC(N)CCC1CCCCO1
InChIInChI=1S/C10H19NO/c1-2-9(11)6-7-10-5-3-4-8-12-10/h2,9-10H,1,3-8,11H2
InChIKeyZWWIPTSGEZXGIG-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,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
CID 59552180
1-(Oxolan-2-yl)but-3-en-2-amine
CID 65575949
azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
CID 67095695
3-Amino-8-(oxan-2-yl)oct-1-en-2-ol
CID 89227890
1-[(2R)-oxolan-2-yl]hex-5-en-3-amine
CID 167351391
1-[(2S)-oxolan-2-yl]hex-5-en-3-amine
CID 167351449
2-Methyl-6-prop-2-enyloxan-4-amine
CID 178808343
1-(Oxolan-2-yl)pent-4-en-2-amine
CID 61380136
1-(Cyclohexen-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953140
1-(Cyclopenten-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953543
1-(Cyclohepten-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953750
1-(Oxolan-2-yl)hept-6-en-2-amine
CID 64297839

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-yl)pent-1-en-3-amine?
The IUPAC name of 5-(oxan-2-yl)pent-1-en-3-amine (CID 105000778) is 5-(oxan-2-yl)pent-1-en-3-amine.
What is the SMILES notation for 5-(oxan-2-yl)pent-1-en-3-amine?
The canonical SMILES for 5-(oxan-2-yl)pent-1-en-3-amine is C=CC(N)CCC1CCCCO1.
What is the InChIKey of 5-(oxan-2-yl)pent-1-en-3-amine?
The InChIKey is ZWWIPTSGEZXGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-9(11)6-7-10-5-3-4-8-12-10/h2,9-10H,1,3-8,11H2.
What are the key properties of 5-(oxan-2-yl)pent-1-en-3-amine?
5-(oxan-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 5-(oxan-2-yl)pent-1-en-3-amine is sourced from PubChem (CID 105000778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).