1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol

C12H28N2O2 — CID 115718065

IUPAC1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol
SMILESCOCCC(NCC(O)CN(C)C)C(C)C
InChIInChI=1S/C12H28N2O2/c1-10(2)12(6-7-16-5)13-8-11(15)9-14(3)4/h10-13,15H,6-9H2,1-5H3
InChIKeyLFQSCDCOKMZXNE-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.56
Rot. Bonds9

About 1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol

1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol (PubChem CID 115718065) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol
PubChem CID115718065
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol
SMILESCOCCC(NCC(O)CN(C)C)C(C)C
InChIInChI=1S/C12H28N2O2/c1-10(2)12(6-7-16-5)13-8-11(15)9-14(3)4/h10-13,15H,6-9H2,1-5H3
InChIKeyLFQSCDCOKMZXNE-UHFFFAOYSA-N
XLogP0.56
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989627
1-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-methoxypropan-1-ol
CID 90250561
1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol
CID 115719382
(2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol
CID 79249235
3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol
CID 115705201
1-cyclopentyl-3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]propan-2-ol
CID 103157490
2-N-(2,2-difluoroethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477125
3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106349624
3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid
CID 103254061
2-[(1-methoxy-4-methylpentan-3-yl)amino]-N-methylacetamide
CID 115706789
5-methoxy-N,N,2,3-tetramethylpentan-1-amine
CID 144662876
1-(dimethylamino)-3-(hexan-3-ylamino)propan-2-ol
CID 62118939

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol (CID 115718065) is 1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol is COCCC(NCC(O)CN(C)C)C(C)C.
What is the InChIKey of 1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol?
The InChIKey is LFQSCDCOKMZXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-10(2)12(6-7-16-5)13-8-11(15)9-14(3)4/h10-13,15H,6-9H2,1-5H3.
What are the key properties of 1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol?
1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol has a molecular weight of 232.37 g/mol, XLogP of 0.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol is sourced from PubChem (CID 115718065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).