N-pentyl-1,3-dioxan-5-amine

C9H19NO2 — CID 67742133

IUPACN-pentyl-1,3-dioxan-5-amine
SMILESCCCCCNC1COCOC1
InChIInChI=1S/C9H19NO2/c1-2-3-4-5-10-9-6-11-8-12-7-9/h9-10H,2-8H2,1H3
InChIKeyWNSYDTPRSRQWTJ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.14
Rot. Bonds5

About N-pentyl-1,3-dioxan-5-amine

N-pentyl-1,3-dioxan-5-amine (PubChem CID 67742133) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-pentyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-pentyl-1,3-dioxan-5-amine
PubChem CID67742133
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-pentyl-1,3-dioxan-5-amine
SMILESCCCCCNC1COCOC1
InChIInChI=1S/C9H19NO2/c1-2-3-4-5-10-9-6-11-8-12-7-9/h9-10H,2-8H2,1H3
InChIKeyWNSYDTPRSRQWTJ-UHFFFAOYSA-N
XLogP1.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-1,3-dioxan-5-amine?
The IUPAC name of N-pentyl-1,3-dioxan-5-amine (CID 67742133) is N-pentyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-pentyl-1,3-dioxan-5-amine?
The canonical SMILES for N-pentyl-1,3-dioxan-5-amine is CCCCCNC1COCOC1.
What is the InChIKey of N-pentyl-1,3-dioxan-5-amine?
The InChIKey is WNSYDTPRSRQWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-3-4-5-10-9-6-11-8-12-7-9/h9-10H,2-8H2,1H3.
What are the key properties of N-pentyl-1,3-dioxan-5-amine?
N-pentyl-1,3-dioxan-5-amine has a molecular weight of 173.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1,3-dioxan-5-amine is sourced from PubChem (CID 67742133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).