N-(1,4-dioxan-2-ylmethyl)propan-1-amine

C8H17NO2 — CID 61025097

IUPACN-(1,4-dioxan-2-ylmethyl)propan-1-amine
SMILESCCCNCC1COCCO1
InChIInChI=1S/C8H17NO2/c1-2-3-9-6-8-7-10-4-5-11-8/h8-9H,2-7H2,1H3
InChIKeyFRXOEVRRCKSXAU-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.40
Rot. Bonds4

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

N-(1,4-dioxan-2-ylmethyl)propan-1-amine (PubChem CID 61025097) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)propan-1-amine
PubChem CID61025097
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(1,4-dioxan-2-ylmethyl)propan-1-amine
SMILESCCCNCC1COCCO1
InChIInChI=1S/C8H17NO2/c1-2-3-9-6-8-7-10-4-5-11-8/h8-9H,2-7H2,1H3
InChIKeyFRXOEVRRCKSXAU-UHFFFAOYSA-N
XLogP0.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.40
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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Related Compounds

((1,4-Dioxan-2-yl)methyl)(methyl)amine
CID 3614772
4-(2-Methoxyethoxy)piperidine
CID 14022384
2-(Methoxymethyl)morpholine
CID 14933202
3-(2-Methoxyethoxy)piperidine
CID 43196822
2-((Propan-2-yloxy)methyl)morpholine
CID 58303653
Bis(2-isopropoxyethyl)amine
CID 22450263
(2R)-2-(methoxymethyl)morpholine hydrochloride
CID 53338716
(2S)-2-(methoxymethyl)morpholine hydrochloride
CID 53338717
2-(Methoxymethyl)-6-methylmorpholine
CID 63929596
6-(Methoxymethyl)-2,2-dimethylmorpholine
CID 65102270
2-(Methoxymethyl)-2-methylmorpholine
CID 65122245
Dimethyl(2-(morpholin-2-yl)ethyl)amine
CID 66427711

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)propan-1-amine (CID 61025097) is N-(1,4-dioxan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)propan-1-amine is CCCNCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)propan-1-amine?
The InChIKey is FRXOEVRRCKSXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-9-6-8-7-10-4-5-11-8/h8-9H,2-7H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)propan-1-amine?
N-(1,4-dioxan-2-ylmethyl)propan-1-amine has a molecular weight of 159.23 g/mol, XLogP of 0.40, 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)propan-1-amine is sourced from PubChem (CID 61025097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).