1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol

C14H29NO3 — CID 55082223

IUPAC1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CNC1(CO)CCCCC1
InChIInChI=1S/C14H29NO3/c1-12(2)9-18-10-13(17)8-15-14(11-16)6-4-3-5-7-14/h12-13,15-17H,3-11H2,1-2H3
InChIKeyZUDPCHGTQYVOSU-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.30
Rot. Bonds8

About 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol

1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 55082223) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID55082223
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CNC1(CO)CCCCC1
InChIInChI=1S/C14H29NO3/c1-12(2)9-18-10-13(17)8-15-14(11-16)6-4-3-5-7-14/h12-13,15-17H,3-11H2,1-2H3
InChIKeyZUDPCHGTQYVOSU-UHFFFAOYSA-N
XLogP1.30
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol (CID 55082223) is 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol is CC(C)COCC(O)CNC1(CO)CCCCC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is ZUDPCHGTQYVOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-12(2)9-18-10-13(17)8-15-14(11-16)6-4-3-5-7-14/h12-13,15-17H,3-11H2,1-2H3.
What are the key properties of 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol?
1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 259.39 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclohexyl]amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 55082223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).