1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol

C13H28N2O2 — CID 64820243

IUPAC1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol
SMILESCOCCN(CCC(C)(O)CN)C(C)C1CC1
InChIInChI=1S/C13H28N2O2/c1-11(12-4-5-12)15(8-9-17-3)7-6-13(2,16)10-14/h11-12,16H,4-10,14H2,1-3H3
InChIKeySHFCDTNQTNTCHS-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.83
Rot. Bonds9

About 1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol

1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol (PubChem CID 64820243) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol
PubChem CID64820243
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol
SMILESCOCCN(CCC(C)(O)CN)C(C)C1CC1
InChIInChI=1S/C13H28N2O2/c1-11(12-4-5-12)15(8-9-17-3)7-6-13(2,16)10-14/h11-12,16H,4-10,14H2,1-3H3
InChIKeySHFCDTNQTNTCHS-UHFFFAOYSA-N
XLogP0.83
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol with MolForge

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Related Compounds

N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine
CID 81079207
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylpentane-1,5-diamine
CID 82016982
2-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]butan-1-ol
CID 64826962
1-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-phenylpropan-2-ol
CID 64820472
1-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylpropan-2-ol
CID 64821364
3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol
CID 115872820
1-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methoxypropan-2-ol
CID 63928354
N-(1-cyclopropylethyl)-2-hydroxy-N-(2-methoxyethyl)-2-methylpropanamide
CID 103429770
1-cyclopropyl-N-(2-methoxyethyl)-N-(2-piperidin-4-yloxyethyl)ethanamine
CID 55252268
1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol
CID 64820477
3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 113256723
1-amino-4-[butan-2-yl(butyl)amino]-2-methylbutan-2-ol
CID 64821823

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol (CID 64820243) is 1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol is COCCN(CCC(C)(O)CN)C(C)C1CC1.
What is the InChIKey of 1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol?
The InChIKey is SHFCDTNQTNTCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(12-4-5-12)15(8-9-17-3)7-6-13(2,16)10-14/h11-12,16H,4-10,14H2,1-3H3.
What are the key properties of 1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol?
1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 64820243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).