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

C13H30N2O2 — CID 114356963

IUPAC3-amino-4-methoxy-2-[pentyl(propan-2-yl)amino]butan-1-ol
SMILESCCCCCN(C(C)C)C(CO)C(N)COC
InChIInChI=1S/C13H30N2O2/c1-5-6-7-8-15(11(2)3)13(9-16)12(14)10-17-4/h11-13,16H,5-10,14H2,1-4H3
InChIKeyUUIOOCKBVNAPEM-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.22
Rot. Bonds10

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

3-amino-4-methoxy-2-[pentyl(propan-2-yl)amino]butan-1-ol (PubChem CID 114356963) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 3-amino-4-methoxy-2-[pentyl(propan-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-amino-4-methoxy-2-[pentyl(propan-2-yl)amino]butan-1-ol
PubChem CID114356963
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name3-amino-4-methoxy-2-[pentyl(propan-2-yl)amino]butan-1-ol
SMILESCCCCCN(C(C)C)C(CO)C(N)COC
InChIInChI=1S/C13H30N2O2/c1-5-6-7-8-15(11(2)3)13(9-16)12(14)10-17-4/h11-13,16H,5-10,14H2,1-4H3
InChIKeyUUIOOCKBVNAPEM-UHFFFAOYSA-N
XLogP1.22
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol
CID 114356584
3-amino-2-[propan-2-yl(propyl)amino]pentan-1-ol
CID 104840311
3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 103226150
N,N-di(propan-2-yl)heptadecan-1-amine
CID 138744995
3-amino-2-hexoxy-4-methoxybutan-1-ol
CID 114358118
3-amino-2-[bis(2-methoxyethyl)amino]butan-1-ol
CID 64899164
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
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol
CID 64827745
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-2-[pentyl(propan-2-yl)amino]butan-1-ol?
The IUPAC name of 3-amino-4-methoxy-2-[pentyl(propan-2-yl)amino]butan-1-ol (CID 114356963) is 3-amino-4-methoxy-2-[pentyl(propan-2-yl)amino]butan-1-ol.
What is the SMILES notation for 3-amino-4-methoxy-2-[pentyl(propan-2-yl)amino]butan-1-ol?
The canonical SMILES for 3-amino-4-methoxy-2-[pentyl(propan-2-yl)amino]butan-1-ol is CCCCCN(C(C)C)C(CO)C(N)COC.
What is the InChIKey of 3-amino-4-methoxy-2-[pentyl(propan-2-yl)amino]butan-1-ol?
The InChIKey is UUIOOCKBVNAPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-5-6-7-8-15(11(2)3)13(9-16)12(14)10-17-4/h11-13,16H,5-10,14H2,1-4H3.
What are the key properties of 3-amino-4-methoxy-2-[pentyl(propan-2-yl)amino]butan-1-ol?
3-amino-4-methoxy-2-[pentyl(propan-2-yl)amino]butan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 1.22, 10 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-[pentyl(propan-2-yl)amino]butan-1-ol is sourced from PubChem (CID 114356963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).