3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol

C11H26N2O2 — CID 114356584

IUPAC3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol
SMILESCCCN(C(C)C)C(CO)C(N)COC
InChIInChI=1S/C11H26N2O2/c1-5-6-13(9(2)3)11(7-14)10(12)8-15-4/h9-11,14H,5-8,12H2,1-4H3
InChIKeyQTNOJTPHJJJQDG-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.44
Rot. Bonds8

About 3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol

3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol (PubChem CID 114356584) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol
PubChem CID114356584
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol
SMILESCCCN(C(C)C)C(CO)C(N)COC
InChIInChI=1S/C11H26N2O2/c1-5-6-13(9(2)3)11(7-14)10(12)8-15-4/h9-11,14H,5-8,12H2,1-4H3
InChIKeyQTNOJTPHJJJQDG-UHFFFAOYSA-N
XLogP0.44
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-methoxy-2-[pentyl(propan-2-yl)amino]butan-1-ol
CID 114356963
3-amino-2-[propan-2-yl(propyl)amino]pentan-1-ol
CID 104840311
3-N-propan-2-yl-3-N-propylheptane-3,4-diamine
CID 43269503
3-amino-2-[bis(2-methoxyethyl)amino]butan-1-ol
CID 64899164
3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol
CID 104710820
3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
CID 114357469
3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol
CID 104840396
3-amino-2-[cyclopropyl(2-methoxyethyl)amino]-4-methoxybutan-1-ol
CID 114356929
3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybutan-1-ol
CID 114357027
(2S,3S)-1,4-dimethoxybutane-2,3-diamine
CID 11051828
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol?
The IUPAC name of 3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol (CID 114356584) is 3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol.
What is the SMILES notation for 3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol?
The canonical SMILES for 3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol is CCCN(C(C)C)C(CO)C(N)COC.
What is the InChIKey of 3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol?
The InChIKey is QTNOJTPHJJJQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-5-6-13(9(2)3)11(7-14)10(12)8-15-4/h9-11,14H,5-8,12H2,1-4H3.
What are the key properties of 3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol?
3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol is sourced from PubChem (CID 114356584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).