2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol

C10H21NO3 — CID 81101332

IUPAC2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCC1CCOCO1
InChIInChI=1S/C10H21NO3/c1-3-10(2,7-12)11-6-9-4-5-13-8-14-9/h9,11-12H,3-8H2,1-2H3
InChIKeyIIZYTLZSRKCMNW-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.50
Rot. Bonds5

About 2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol

2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol (PubChem CID 81101332) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol
PubChem CID81101332
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCC1CCOCO1
InChIInChI=1S/C10H21NO3/c1-3-10(2,7-12)11-6-9-4-5-13-8-14-9/h9,11-12H,3-8H2,1-2H3
InChIKeyIIZYTLZSRKCMNW-UHFFFAOYSA-N
XLogP0.50
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol
CID 81102671
N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine
CID 103461370
2-(cyclopropylmethylamino)-2-methylbutan-1-ol
CID 61054003
3-methyl-3-(oxolan-2-ylmethylamino)pentan-1-ol
CID 106172498
3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine
CID 115685650
N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine
CID 131176990
1-cyclopropyl-N-(1,3-dioxan-4-ylmethyl)methanamine
CID 81101660
N-(1,3-dioxan-4-ylmethyl)propan-2-amine
CID 81100823
2-(1,3-dioxan-4-ylmethyl)-1,1-dimethylhydrazine
CID 83015082
3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide
CID 106277044
2-(1,3-dioxan-4-ylmethylamino)-4-methylpentan-1-ol
CID 81101798
N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 81102550

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol?
The IUPAC name of 2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol (CID 81101332) is 2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol is CCC(C)(CO)NCC1CCOCO1.
What is the InChIKey of 2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol?
The InChIKey is IIZYTLZSRKCMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-10(2,7-12)11-6-9-4-5-13-8-14-9/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol?
2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol has a molecular weight of 203.28 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 81101332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).