4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol

C13H27NO2 — CID 115724586

IUPAC4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol
SMILESCC(CC1CCCO1)NC(CCO)C(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)13(6-7-15)14-11(3)9-12-5-4-8-16-12/h10-15H,4-9H2,1-3H3
InChIKeyGYCLUHAKBRMVKG-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds7

About 4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol

4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol (PubChem CID 115724586) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol
PubChem CID115724586
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol
SMILESCC(CC1CCCO1)NC(CCO)C(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)13(6-7-15)14-11(3)9-12-5-4-8-16-12/h10-15H,4-9H2,1-3H3
InChIKeyGYCLUHAKBRMVKG-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol (CID 115724586) is 4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol is CC(CC1CCCO1)NC(CCO)C(C)C.
What is the InChIKey of 4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol?
The InChIKey is GYCLUHAKBRMVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)13(6-7-15)14-11(3)9-12-5-4-8-16-12/h10-15H,4-9H2,1-3H3.
What are the key properties of 4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol?
4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol is sourced from PubChem (CID 115724586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).