N-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine

C8H15NO2 — CID 137417974

IUPACN-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine
SMILESC=C(C)NCC1COCCO1
InChIInChI=1S/C8H15NO2/c1-7(2)9-5-8-6-10-3-4-11-8/h8-9H,1,3-6H2,2H3
InChIKeyYSNUTDXCWBKEJU-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.52
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine

N-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine (PubChem CID 137417974) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine
PubChem CID137417974
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine
SMILESC=C(C)NCC1COCCO1
InChIInChI=1S/C8H15NO2/c1-7(2)9-5-8-6-10-3-4-11-8/h8-9H,1,3-6H2,2H3
InChIKeyYSNUTDXCWBKEJU-UHFFFAOYSA-N
XLogP0.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine (CID 137417974) is N-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine is C=C(C)NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine?
The InChIKey is YSNUTDXCWBKEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)9-5-8-6-10-3-4-11-8/h8-9H,1,3-6H2,2H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine?
N-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine has a molecular weight of 157.21 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine is sourced from PubChem (CID 137417974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).