1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol

C13H28N2O2 — CID 115475087

IUPAC1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol
SMILESCOCCN(CC(O)CNC(C)(C)C)C1CC1
InChIInChI=1S/C13H28N2O2/c1-13(2,3)14-9-12(16)10-15(7-8-17-4)11-5-6-11/h11-12,14,16H,5-10H2,1-4H3
InChIKeyLVPQGLBPZKCYJO-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.85
Rot. Bonds8

About 1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol

1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol (PubChem CID 115475087) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol
PubChem CID115475087
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol
SMILESCOCCN(CC(O)CNC(C)(C)C)C1CC1
InChIInChI=1S/C13H28N2O2/c1-13(2,3)14-9-12(16)10-15(7-8-17-4)11-5-6-11/h11-12,14,16H,5-10H2,1-4H3
InChIKeyLVPQGLBPZKCYJO-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317500
3-[[3-(tert-butylamino)-2-hydroxypropyl]-cyclopropylamino]propanenitrile
CID 115475121
4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid
CID 82770599
N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 66222965
1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol
CID 115475082
N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine
CID 64996287
3-[cyclopropyl(2-methoxyethyl)amino]-2-methylpropanehydrazide
CID 63583449
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62806205
2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 60970438
1-(tert-butylamino)-3-[2-ethoxyethyl(ethyl)amino]propan-2-ol
CID 115475349
1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol
CID 115474949

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol (CID 115475087) is 1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol is COCCN(CC(O)CNC(C)(C)C)C1CC1.
What is the InChIKey of 1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol?
The InChIKey is LVPQGLBPZKCYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-13(2,3)14-9-12(16)10-15(7-8-17-4)11-5-6-11/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol?
1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol is sourced from PubChem (CID 115475087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).