1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol

C14H28N2O3 — CID 106992751

IUPAC1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN(CC1CCCN1)C1CC1
InChIInChI=1S/C14H28N2O3/c1-18-7-8-19-11-14(17)10-16(13-4-5-13)9-12-3-2-6-15-12/h12-15,17H,2-11H2,1H3
InChIKeyGKSCWRVYRUURPC-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.23
Rot. Bonds10

About 1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol

1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106992751) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106992751
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN(CC1CCCN1)C1CC1
InChIInChI=1S/C14H28N2O3/c1-18-7-8-19-11-14(17)10-16(13-4-5-13)9-12-3-2-6-15-12/h12-15,17H,2-11H2,1H3
InChIKeyGKSCWRVYRUURPC-UHFFFAOYSA-N
XLogP0.23
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol
CID 106599810
1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992282
N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979274
4-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106605809
N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979302
N-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617190
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979258
4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106602392
2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618388
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773
1-ethoxy-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106617981

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol (CID 106992751) is 1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CN(CC1CCCN1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is GKSCWRVYRUURPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-18-7-8-19-11-14(17)10-16(13-4-5-13)9-12-3-2-6-15-12/h12-15,17H,2-11H2,1H3.
What are the key properties of 1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 272.39 g/mol, XLogP of 0.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106992751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).