N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine

C13H27NO2 — CID 106658781

IUPACN-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCCC(CC)C(C)NC1COC(C)(C)OC1
InChIInChI=1S/C13H27NO2/c1-6-11(7-2)10(3)14-12-8-15-13(4,5)16-9-12/h10-12,14H,6-9H2,1-5H3
InChIKeyRVOFUOVDVHCSTB-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.55
Rot. Bonds5

About N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine

N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 106658781) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID106658781
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCCC(CC)C(C)NC1COC(C)(C)OC1
InChIInChI=1S/C13H27NO2/c1-6-11(7-2)10(3)14-12-8-15-13(4,5)16-9-12/h10-12,14H,6-9H2,1-5H3
InChIKeyRVOFUOVDVHCSTB-UHFFFAOYSA-N
XLogP2.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide
CID 106658204
N-(3-ethylpentan-2-yl)cyclohexanamine
CID 63842425
N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106659050
2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-propylpropanamide
CID 106658282
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol
CID 106348831
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide
CID 104585278
N-(2,2-difluoroethyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658931
4-ethyl-N-(3-ethylpentan-2-yl)cyclohexan-1-amine
CID 63842608
2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine
CID 104585187
1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol
CID 106659034
2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine
CID 114132443
N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine
CID 79836282

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine (CID 106658781) is N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine is CCC(CC)C(C)NC1COC(C)(C)OC1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is RVOFUOVDVHCSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-11(7-2)10(3)14-12-8-15-13(4,5)16-9-12/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine?
N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 229.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 106658781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).