1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol

C13H30N2O2 — CID 59872347

IUPAC1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNCC(C)CC(C)(C)CCN
InChIInChI=1S/C13H30N2O2/c1-11(7-13(2,3)5-6-14)8-15-9-12(16)10-17-4/h11-12,15-16H,5-10,14H2,1-4H3
InChIKeyFWWBFYONLYSVHK-UHFFFAOYSA-N
MW246.39 g/mol
LogP0.98
Rot. Bonds10

About 1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol

1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol (PubChem CID 59872347) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol
PubChem CID59872347
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNCC(C)CC(C)(C)CCN
InChIInChI=1S/C13H30N2O2/c1-11(7-13(2,3)5-6-14)8-15-9-12(16)10-17-4/h11-12,15-16H,5-10,14H2,1-4H3
InChIKeyFWWBFYONLYSVHK-UHFFFAOYSA-N
XLogP0.98
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

1-(Fluoromethoxy)-3-[(1,3,3,5-tetramethylcyclohexyl)methylamino]propan-2-ol
CID 57957202
1-(2-Hydroxypropylamino)-4,4-dimethylhexan-3-ol
CID 18533829
2-[(6-Amino-2,2,4-trimethylhexyl)amino]ethanol
CID 20447485
1-[[6-[Bis(3-butoxy-2-hydroxypropyl)amino]-3,3,5-trimethylhexyl]amino]-3-butoxypropan-2-ol
CID 20767124
3-(2-Ethylhexylamino)propane-1,2-diol
CID 24821884
3-[[4-(Aminomethyl)-2-methylhexyl]amino]propane-1,2-diol
CID 58586497
1-Ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol
CID 59264316
1-(2-Ethylhexylamino)-3-[2-[3-(2-ethylhexylamino)-2-hydroxypropoxy]ethoxy]propan-2-ol
CID 59642201
1-[[4-(Aminomethyl)-2-methylhexyl]amino]propan-2-ol
CID 59682113
1-[(5-Amino-1,3,3-trimethylcyclohexyl)methylamino]-3-methoxypropan-2-ol
CID 71052921
1-[[(1S)-5-amino-1,3,3-trimethylcyclohexyl]methylamino]-3-methoxypropan-2-ol
CID 71176469
1-(6-Aminohexylamino)-3-ethoxypropan-2-ol
CID 89417242

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol (CID 59872347) is 1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol is COCC(O)CNCC(C)CC(C)(C)CCN.
What is the InChIKey of 1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol?
The InChIKey is FWWBFYONLYSVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-11(7-13(2,3)5-6-14)8-15-9-12(16)10-17-4/h11-12,15-16H,5-10,14H2,1-4H3.
What are the key properties of 1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol?
1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol has a molecular weight of 246.39 g/mol, XLogP of 0.98, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-2,4,4-trimethylhexyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 59872347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).