N-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine

C7H16N2O — CID 146428018

IUPACN-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine
SMILESCCCNO[C@@H]1CCNC1
InChIInChI=1S/C7H16N2O/c1-2-4-9-10-7-3-5-8-6-7/h7-9H,2-6H2,1H3/t7-/m1/s1
InChIKeyANDLUUZQRJNRSY-SSDOTTSWSA-N
MW144.22 g/mol
LogP0.28
Rot. Bonds4

About N-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine

N-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine (PubChem CID 146428018) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine
PubChem CID146428018
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine
SMILESCCCNO[C@@H]1CCNC1
InChIInChI=1S/C7H16N2O/c1-2-4-9-10-7-3-5-8-6-7/h7-9H,2-6H2,1H3/t7-/m1/s1
InChIKeyANDLUUZQRJNRSY-SSDOTTSWSA-N
XLogP0.28
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine?
The IUPAC name of N-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine (CID 146428018) is N-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine.
What is the SMILES notation for N-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine?
The canonical SMILES for N-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine is CCCNO[C@@H]1CCNC1.
What is the InChIKey of N-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine?
The InChIKey is ANDLUUZQRJNRSY-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16N2O/c1-2-4-9-10-7-3-5-8-6-7/h7-9H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of N-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine?
N-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine has a molecular weight of 144.22 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-pyrrolidin-3-yl]oxypropan-1-amine is sourced from PubChem (CID 146428018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).