4-methyl-5-(oxan-4-yl)-N-propylpent-3-en-1-amine

C14H27NO — CID 79597956

IUPAC4-methyl-5-(oxan-4-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)CC1CCOCC1
InChIInChI=1S/C14H27NO/c1-3-8-15-9-4-5-13(2)12-14-6-10-16-11-7-14/h5,14-15H,3-4,6-12H2,1-2H3
InChIKeyKTZNJHZQTWLNST-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds7

About 4-methyl-5-(oxan-4-yl)-N-propylpent-3-en-1-amine

4-methyl-5-(oxan-4-yl)-N-propylpent-3-en-1-amine (PubChem CID 79597956) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-methyl-5-(oxan-4-yl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name4-methyl-5-(oxan-4-yl)-N-propylpent-3-en-1-amine
PubChem CID79597956
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-methyl-5-(oxan-4-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)CC1CCOCC1
InChIInChI=1S/C14H27NO/c1-3-8-15-9-4-5-13(2)12-14-6-10-16-11-7-14/h5,14-15H,3-4,6-12H2,1-2H3
InChIKeyKTZNJHZQTWLNST-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(oxan-4-yl)-N-propylpent-3-en-1-amine?
The IUPAC name of 4-methyl-5-(oxan-4-yl)-N-propylpent-3-en-1-amine (CID 79597956) is 4-methyl-5-(oxan-4-yl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for 4-methyl-5-(oxan-4-yl)-N-propylpent-3-en-1-amine?
The canonical SMILES for 4-methyl-5-(oxan-4-yl)-N-propylpent-3-en-1-amine is CCCNCCC=C(C)CC1CCOCC1.
What is the InChIKey of 4-methyl-5-(oxan-4-yl)-N-propylpent-3-en-1-amine?
The InChIKey is KTZNJHZQTWLNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-8-15-9-4-5-13(2)12-14-6-10-16-11-7-14/h5,14-15H,3-4,6-12H2,1-2H3.
What are the key properties of 4-methyl-5-(oxan-4-yl)-N-propylpent-3-en-1-amine?
4-methyl-5-(oxan-4-yl)-N-propylpent-3-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(oxan-4-yl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79597956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).