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

C9H17NO2 — CID 62331517

IUPACN-(1,4-dioxan-2-ylmethyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCC1COCCO1
InChIInChI=1S/C9H17NO2/c1-8(2)5-10-6-9-7-11-3-4-12-9/h9-10H,1,3-7H2,2H3
InChIKeyYNSIHMZXDWQZSG-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.57
Rot. Bonds4

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

N-(1,4-dioxan-2-ylmethyl)-2-methylprop-2-en-1-amine (PubChem CID 62331517) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-methylprop-2-en-1-amine
PubChem CID62331517
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCC1COCCO1
InChIInChI=1S/C9H17NO2/c1-8(2)5-10-6-9-7-11-3-4-12-9/h9-10H,1,3-7H2,2H3
InChIKeyYNSIHMZXDWQZSG-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-2-methylpropan-1-amine
CID 60961111
2-[1-(2-Methylprop-2-enoxy)ethyl]morpholine
CID 70372421
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-methylpropan-1-amine
CID 93423565
2-methyl-N-(2-propan-2-yloxyethyl)prop-2-en-1-amine
CID 104760084
N-(1,4-dioxan-2-ylmethyl)prop-1-en-2-amine
CID 137417974
N-(1,4-dioxan-2-ylmethyl)-2-propan-2-yloxyethanamine
CID 60976913
2-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine
CID 61023147
2-chloro-N-(1,4-dioxan-2-ylmethyl)prop-2-en-1-amine
CID 61023148
N-(1,4-dioxan-2-ylmethyl)-2-methoxyethanamine
CID 61023444
N-(1,4-dioxan-2-ylmethyl)-2-ethoxyethanamine
CID 61023692
N-(1,4-dioxan-2-ylmethyl)-3-methoxypropan-1-amine
CID 61023699
N-(1,4-dioxan-2-ylmethyl)propan-1-amine
CID 61025097

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-methylprop-2-en-1-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-methylprop-2-en-1-amine (CID 62331517) is N-(1,4-dioxan-2-ylmethyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-methylprop-2-en-1-amine is C=C(C)CNCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-methylprop-2-en-1-amine?
The InChIKey is YNSIHMZXDWQZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)5-10-6-9-7-11-3-4-12-9/h9-10H,1,3-7H2,2H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-methylprop-2-en-1-amine?
N-(1,4-dioxan-2-ylmethyl)-2-methylprop-2-en-1-amine has a molecular weight of 171.24 g/mol, XLogP of 0.57, 4 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)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 62331517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).