4-methyl-1-(oxolan-3-ylamino)pentan-3-ol

C10H21NO2 — CID 115689581

IUPAC4-methyl-1-(oxolan-3-ylamino)pentan-3-ol
SMILESCC(C)C(O)CCNC1CCOC1
InChIInChI=1S/C10H21NO2/c1-8(2)10(12)3-5-11-9-4-6-13-7-9/h8-12H,3-7H2,1-2H3
InChIKeyOFQXVTRZNPEQEV-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.77
Rot. Bonds5

About 4-methyl-1-(oxolan-3-ylamino)pentan-3-ol

4-methyl-1-(oxolan-3-ylamino)pentan-3-ol (PubChem CID 115689581) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-methyl-1-(oxolan-3-ylamino)pentan-3-ol.

Molecular Properties

Compound Name4-methyl-1-(oxolan-3-ylamino)pentan-3-ol
PubChem CID115689581
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-methyl-1-(oxolan-3-ylamino)pentan-3-ol
SMILESCC(C)C(O)CCNC1CCOC1
InChIInChI=1S/C10H21NO2/c1-8(2)10(12)3-5-11-9-4-6-13-7-9/h8-12H,3-7H2,1-2H3
InChIKeyOFQXVTRZNPEQEV-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(oxolan-3-ylamino)pentan-1-ol
CID 103859420
N-(4-iodobutyl)oxolan-3-amine
CID 106844615
4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol
CID 115723515
N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 63335601
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(oxan-4-ylamino)butanamide
CID 111697237
(2S)-1-(oxolan-3-ylamino)butan-2-ol
CID 130571979
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
N'-(oxolan-3-yl)propane-1,3-diamine
CID 63335365
1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol
CID 115723479
N,N-dimethyl-3-(oxolan-3-ylamino)propanamide
CID 63335526
N-(4,4-dimethylpentyl)oxolan-3-amine
CID 115689448
3-methyl-2-(oxolan-3-ylamino)butan-1-ol
CID 79254853

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxolan-3-ylamino)pentan-3-ol?
The IUPAC name of 4-methyl-1-(oxolan-3-ylamino)pentan-3-ol (CID 115689581) is 4-methyl-1-(oxolan-3-ylamino)pentan-3-ol.
What is the SMILES notation for 4-methyl-1-(oxolan-3-ylamino)pentan-3-ol?
The canonical SMILES for 4-methyl-1-(oxolan-3-ylamino)pentan-3-ol is CC(C)C(O)CCNC1CCOC1.
What is the InChIKey of 4-methyl-1-(oxolan-3-ylamino)pentan-3-ol?
The InChIKey is OFQXVTRZNPEQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)10(12)3-5-11-9-4-6-13-7-9/h8-12H,3-7H2,1-2H3.
What are the key properties of 4-methyl-1-(oxolan-3-ylamino)pentan-3-ol?
4-methyl-1-(oxolan-3-ylamino)pentan-3-ol has a molecular weight of 187.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxolan-3-ylamino)pentan-3-ol is sourced from PubChem (CID 115689581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).