1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol

C13H27NO4 — CID 113313258

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(C)OCCOCC(O)CNCC1(CO)CC1
InChIInChI=1S/C13H27NO4/c1-11(2)18-6-5-17-8-12(16)7-14-9-13(10-15)3-4-13/h11-12,14-16H,3-10H2,1-2H3
InChIKeyQBCSXVOVXCNKAU-UHFFFAOYSA-N
MW261.36 g/mol
LogP0.15
Rot. Bonds11

About 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol

1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol (PubChem CID 113313258) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
PubChem CID113313258
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(C)OCCOCC(O)CNCC1(CO)CC1
InChIInChI=1S/C13H27NO4/c1-11(2)18-6-5-17-8-12(16)7-14-9-13(10-15)3-4-13/h11-12,14-16H,3-10H2,1-2H3
InChIKeyQBCSXVOVXCNKAU-UHFFFAOYSA-N
XLogP0.15
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 62517581
1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990396
1-(ethoxyamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60702644
[1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol
CID 115454682
1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 115454706
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol
CID 65109325
1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
CID 106990051
3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide
CID 106276148
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol
CID 65122217
1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol
CID 65123306
2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol
CID 114331941
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol (CID 113313258) is 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol is CC(C)OCCOCC(O)CNCC1(CO)CC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The InChIKey is QBCSXVOVXCNKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-11(2)18-6-5-17-8-12(16)7-14-9-13(10-15)3-4-13/h11-12,14-16H,3-10H2,1-2H3.
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol has a molecular weight of 261.36 g/mol, XLogP of 0.15, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol is sourced from PubChem (CID 113313258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).