1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol

C14H29NO4 — CID 62517581

IUPAC1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(C)OCCOCC(O)CNC1(CO)CCCC1
InChIInChI=1S/C14H29NO4/c1-12(2)19-8-7-18-10-13(17)9-15-14(11-16)5-3-4-6-14/h12-13,15-17H,3-11H2,1-2H3
InChIKeyKVZUJHSUFXUYNW-UHFFFAOYSA-N
MW275.39 g/mol
LogP0.68
Rot. Bonds10

About 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol

1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol (PubChem CID 62517581) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
PubChem CID62517581
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCC(C)OCCOCC(O)CNC1(CO)CCCC1
InChIInChI=1S/C14H29NO4/c1-12(2)19-8-7-18-10-13(17)9-15-14(11-16)5-3-4-6-14/h12-13,15-17H,3-11H2,1-2H3
InChIKeyKVZUJHSUFXUYNW-UHFFFAOYSA-N
XLogP0.68
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-3-[[1-(hydroxymethyl)cyclobutyl]amino]propan-2-ol
CID 107263123
1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 113313258
1-(ethoxyamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60702644
1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989862
1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106990533
(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 94468479
[1-(2-methylpropylamino)cyclopentyl]methanol
CID 61054740
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol
CID 62516876
1-butoxy-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
CID 107262769
2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]oxyacetamide
CID 112673643
1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 62522227
1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119303454

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol (CID 62517581) is 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol is CC(C)OCCOCC(O)CNC1(CO)CCCC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The InChIKey is KVZUJHSUFXUYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-12(2)19-8-7-18-10-13(17)9-15-14(11-16)5-3-4-6-14/h12-13,15-17H,3-11H2,1-2H3.
What are the key properties of 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol has a molecular weight of 275.39 g/mol, XLogP of 0.68, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol is sourced from PubChem (CID 62517581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).