3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine

C10H22N2O — CID 118883331

IUPAC3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine
SMILESCC(CN1CCCC1)OCCCN
InChIInChI=1S/C10H22N2O/c1-10(13-8-4-5-11)9-12-6-2-3-7-12/h10H,2-9,11H2,1H3
InChIKeyWSDWJPDPVJSLGK-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.84
Rot. Bonds6

About 3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine

3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine (PubChem CID 118883331) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine.

Molecular Properties

Compound Name3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine
PubChem CID118883331
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine
SMILESCC(CN1CCCC1)OCCCN
InChIInChI=1S/C10H22N2O/c1-10(13-8-4-5-11)9-12-6-2-3-7-12/h10H,2-9,11H2,1H3
InChIKeyWSDWJPDPVJSLGK-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine
CID 118883337
2-methylpropane;3-piperidin-1-ylpropan-1-amine
CID 161163740
6-(3-aminopropoxy)heptan-1-amine
CID 142972624
3-propan-2-yloxypropan-1-amine;hydrochloride
CID 18670799
4-[4-(2-propan-2-yloxyethyl)-1,4-diazepan-1-yl]butan-1-amine
CID 54958260
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
1-(3-aminopropoxy)ethanol
CID 19915425
5-amino-1-piperidin-1-ylpentan-2-ol
CID 18549935
butyl 2-methyl-3-pyrrolidin-1-ylpropanoate
CID 139756168
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 135182025

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine?
The IUPAC name of 3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine (CID 118883331) is 3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine.
What is the SMILES notation for 3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine?
The canonical SMILES for 3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine is CC(CN1CCCC1)OCCCN.
What is the InChIKey of 3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine?
The InChIKey is WSDWJPDPVJSLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(13-8-4-5-11)9-12-6-2-3-7-12/h10H,2-9,11H2,1H3.
What are the key properties of 3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine?
3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine is sourced from PubChem (CID 118883331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).