1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol

C13H28N2O2 — CID 115474949

IUPAC1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol
SMILESCN(CC(O)CNC(C)(C)C)C1CCOCC1
InChIInChI=1S/C13H28N2O2/c1-13(2,3)14-9-12(16)10-15(4)11-5-7-17-8-6-11/h11-12,14,16H,5-10H2,1-4H3
InChIKeyGSSZWMQVJCUTPA-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.85
Rot. Bonds5

About 1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol

1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol (PubChem CID 115474949) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol
PubChem CID115474949
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol
SMILESCN(CC(O)CNC(C)(C)C)C1CCOCC1
InChIInChI=1S/C13H28N2O2/c1-13(2,3)14-9-12(16)10-15(4)11-5-7-17-8-6-11/h11-12,14,16H,5-10H2,1-4H3
InChIKeyGSSZWMQVJCUTPA-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol
CID 115475082
1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 82734279
1-[methyl(oxolan-3-yl)amino]pentan-2-ol
CID 82748731
1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol
CID 115476122
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293
1-[cyclopentyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110882289
1-[benzyl(methyl)amino]-3-[methyl(oxan-4-yl)amino]propan-2-ol
CID 111613392
6-[methyl(oxan-4-yl)amino]hexan-3-ol
CID 106802302
N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine
CID 62432918
3-[[3-(tert-butylamino)-2-hydroxypropyl]-cyclopropylamino]propanenitrile
CID 115475121
1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol
CID 115475087
2-N-ethyl-1-N,2-dimethyl-1-N-(oxan-4-yl)propane-1,2-diamine
CID 62834091

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol (CID 115474949) is 1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol is CN(CC(O)CNC(C)(C)C)C1CCOCC1.
What is the InChIKey of 1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol?
The InChIKey is GSSZWMQVJCUTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-13(2,3)14-9-12(16)10-15(4)11-5-7-17-8-6-11/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol?
1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol is sourced from PubChem (CID 115474949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).