1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine

C9H17NO2 — CID 102849696

IUPAC1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine
SMILESC1COC(CNCC2CC2)OC1
InChIInChI=1S/C9H17NO2/c1-4-11-9(12-5-1)7-10-6-8-2-3-8/h8-10H,1-7H2
InChIKeyNFESUWHZXICGKK-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.75
Rot. Bonds4

About 1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine

1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine (PubChem CID 102849696) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine
PubChem CID102849696
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine
SMILESC1COC(CNCC2CC2)OC1
InChIInChI=1S/C9H17NO2/c1-4-11-9(12-5-1)7-10-6-8-2-3-8/h8-10H,1-7H2
InChIKeyNFESUWHZXICGKK-UHFFFAOYSA-N
XLogP0.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine (CID 102849696) is 1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine is C1COC(CNCC2CC2)OC1.
What is the InChIKey of 1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine?
The InChIKey is NFESUWHZXICGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-11-9(12-5-1)7-10-6-8-2-3-8/h8-10H,1-7H2.
What are the key properties of 1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine?
1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine has a molecular weight of 171.24 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine is sourced from PubChem (CID 102849696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).