4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol

C16H34N2O2 — CID 114953606

IUPAC4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol
SMILESCC(C)CNCC(C)(C)CN(C)CC1(O)CCOCC1
InChIInChI=1S/C16H34N2O2/c1-14(2)10-17-11-15(3,4)12-18(5)13-16(19)6-8-20-9-7-16/h14,17,19H,6-13H2,1-5H3
InChIKeyZPHGUJDMNKMDGE-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.73
Rot. Bonds8

About 4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol

4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol (PubChem CID 114953606) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol
PubChem CID114953606
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol
SMILESCC(C)CNCC(C)(C)CN(C)CC1(O)CCOCC1
InChIInChI=1S/C16H34N2O2/c1-14(2)10-17-11-15(3,4)12-18(5)13-16(19)6-8-20-9-7-16/h14,17,19H,6-13H2,1-5H3
InChIKeyZPHGUJDMNKMDGE-UHFFFAOYSA-N
XLogP1.73
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol (CID 114953606) is 4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol is CC(C)CNCC(C)(C)CN(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol?
The InChIKey is ZPHGUJDMNKMDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-14(2)10-17-11-15(3,4)12-18(5)13-16(19)6-8-20-9-7-16/h14,17,19H,6-13H2,1-5H3.
What are the key properties of 4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol?
4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol has a molecular weight of 286.46 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114953606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).