N-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine

C11H23NO2 — CID 141342670

IUPACN-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine
SMILESCCCNCCC1OCC(C)(C)CO1
InChIInChI=1S/C11H23NO2/c1-4-6-12-7-5-10-13-8-11(2,3)9-14-10/h10,12H,4-9H2,1-3H3
InChIKeyDMGXHHYNKPQLBZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.78
Rot. Bonds5

About N-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine

N-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine (PubChem CID 141342670) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine
PubChem CID141342670
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine
SMILESCCCNCCC1OCC(C)(C)CO1
InChIInChI=1S/C11H23NO2/c1-4-6-12-7-5-10-13-8-11(2,3)9-14-10/h10,12H,4-9H2,1-3H3
InChIKeyDMGXHHYNKPQLBZ-UHFFFAOYSA-N
XLogP1.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.78
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

[(2,2-Dimethyl-1,3-dioxan-5-yl)methyl](methyl)amine
CID 25223587
(3,3-Diethoxypropyl)(ethyl)amine
CID 79006753
2-(5,5-Dimethyl-1,3-dioxan-2-yl)ethanamine
CID 82647198
N-(2,2-dimethyl-3,3-dimethoxypropan-1-yl)-N-ethylamine
CID 129767925
3,3-Diethoxy-n,2,2-trimethylpropan-1-amine
CID 290254
N-[2,2-dimethyl-2-(4-methyl-1,3-dioxan-2-yl)ethyl]methylamine
CID 12894460
N'-(3,3-diethoxypropyl)butane-1,4-diamine
CID 13894724
2-(1,3-dioxan-2-yl)-N-methylethanamine
CID 15346395
3-[1-[3-(3-Methoxypropylamino)propoxy]ethoxy]propan-1-amine
CID 19915422
N-[2-(1,3-dioxan-2-yl)ethyl]propan-2-amine
CID 21034301
(3,3-Diethoxypropyl)(methyl)amine
CID 54501619
N-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine
CID 59290437

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine (CID 141342670) is N-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine is CCCNCCC1OCC(C)(C)CO1.
What is the InChIKey of N-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine?
The InChIKey is DMGXHHYNKPQLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-6-12-7-5-10-13-8-11(2,3)9-14-10/h10,12H,4-9H2,1-3H3.
What are the key properties of N-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine?
N-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 141342670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).