3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol

C12H25NO3 — CID 106348831

IUPAC3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC1COC(C)(C)OC1
InChIInChI=1S/C12H25NO3/c1-9(2)11(5-6-14)13-10-7-15-12(3,4)16-8-10/h9-11,13-14H,5-8H2,1-4H3
InChIKeyFBGRSBQQNWYUCH-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.13
Rot. Bonds5

About 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol

3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol (PubChem CID 106348831) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol
PubChem CID106348831
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC1COC(C)(C)OC1
InChIInChI=1S/C12H25NO3/c1-9(2)11(5-6-14)13-10-7-15-12(3,4)16-8-10/h9-11,13-14H,5-8H2,1-4H3
InChIKeyFBGRSBQQNWYUCH-UHFFFAOYSA-N
XLogP1.13
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methoxycyclobutyl)amino]-4-methylpentan-1-ol
CID 104871769
4-methyl-3-(oxepan-4-ylamino)pentan-1-ol
CID 103894941
N-(3-ethylpentan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658781
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]butanamide
CID 104585278
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpentan-1-ol
CID 103786504
1-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3-methylbutan-2-ol
CID 106659034
2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-ethylpropanamide
CID 106658204
N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106659050
3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115656026
3-(azepan-4-ylamino)-4-methylpentan-1-ol
CID 106348666
3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115724563
3-[[3-(2-chlorophenyl)cyclobutyl]amino]-4-methylpentan-1-ol
CID 106348762

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol (CID 106348831) is 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol is CC(C)C(CCO)NC1COC(C)(C)OC1.
What is the InChIKey of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol?
The InChIKey is FBGRSBQQNWYUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-9(2)11(5-6-14)13-10-7-15-12(3,4)16-8-10/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol?
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106348831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).