4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine

C15H34N2O3 — CID 159084006

IUPAC4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine
SMILESCC(CCN)COC1CCCCO1.CC(CO)CCN
InChIInChI=1S/C10H21NO2.C5H13NO/c1-9(5-6-11)8-13-10-4-2-3-7-12-10;1-5(4-7)2-3-6/h9-10H,2-8,11H2,1H3;5,7H,2-4,6H2,1H3
InChIKeyKBFCCIXEESPYFP-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.48
Rot. Bonds8

About 4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine

4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine (PubChem CID 159084006) has the molecular formula C15H34N2O3 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine.

Molecular Properties

Compound Name4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine
PubChem CID159084006
Molecular FormulaC15H34N2O3
Molecular Weight290.45 g/mol
Exact Mass290.26
IUPAC Name4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine
SMILESCC(CCN)COC1CCCCO1.CC(CO)CCN
InChIInChI=1S/C10H21NO2.C5H13NO/c1-9(5-6-11)8-13-10-4-2-3-7-12-10;1-5(4-7)2-3-6/h9-10H,2-8,11H2,1H3;5,7H,2-4,6H2,1H3
InChIKeyKBFCCIXEESPYFP-UHFFFAOYSA-N
XLogP1.48
TPSA90.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
CID 85158047
hydrazine;2-[(2R)-2-methylbutoxy]oxane;(3R)-3-methyl-4-(oxan-2-yloxy)butan-1-amine;hydrate
CID 158281779
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
(6S)-6-methyl-7-(oxan-2-yloxy)heptan-2-one
CID 11622725
[(2S,3S)-3-methyl-2-[(3R)-3-methyl-4-(oxan-2-yloxy)butyl]oxiran-2-yl]methanol
CID 10400301
(2R,5R)-2-(1-deuterioethyl)-5-methyl-6-(oxan-2-yloxy)hexane-1,2-diol
CID 10400448
2-(2-methylpent-4-ynoxy)oxane
CID 143125735
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine?
The IUPAC name of 4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine (CID 159084006) is 4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine.
What is the SMILES notation for 4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine?
The canonical SMILES for 4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine is CC(CCN)COC1CCCCO1.CC(CO)CCN.
What is the InChIKey of 4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine?
The InChIKey is KBFCCIXEESPYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.C5H13NO/c1-9(5-6-11)8-13-10-4-2-3-7-12-10;1-5(4-7)2-3-6/h9-10H,2-8,11H2,1H3;5,7H,2-4,6H2,1H3.
What are the key properties of 4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine?
4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylbutan-1-ol;3-methyl-4-(oxan-2-yloxy)butan-1-amine is sourced from PubChem (CID 159084006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).