N-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine

C9H19NO2 — CID 21034301

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCC1OCCCO1
InChIInChI=1S/C9H19NO2/c1-8(2)10-5-4-9-11-6-3-7-12-9/h8-10H,3-7H2,1-2H3
InChIKeyLMAKXKINAFCPRP-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.14
Rot. Bonds4

About N-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine

N-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine (PubChem CID 21034301) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine
PubChem CID21034301
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCC1OCCCO1
InChIInChI=1S/C9H19NO2/c1-8(2)10-5-4-9-11-6-3-7-12-9/h8-10H,3-7H2,1-2H3
InChIKeyLMAKXKINAFCPRP-UHFFFAOYSA-N
XLogP1.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine (CID 21034301) is N-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine is CC(C)NCCC1OCCCO1.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine?
The InChIKey is LMAKXKINAFCPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)10-5-4-9-11-6-3-7-12-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine?
N-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine has a molecular weight of 173.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 21034301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).