N-(3-morpholin-4-ylpropyl)but-2-yn-1-amine

C11H20N2O — CID 62309941

IUPACN-(3-morpholin-4-ylpropyl)but-2-yn-1-amine
SMILESCC#CCNCCCN1CCOCC1
InChIInChI=1S/C11H20N2O/c1-2-3-5-12-6-4-7-13-8-10-14-11-9-13/h12H,4-11H2,1H3
InChIKeyIDEHXTPVFHPHAP-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.32
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)but-2-yn-1-amine

N-(3-morpholin-4-ylpropyl)but-2-yn-1-amine (PubChem CID 62309941) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)but-2-yn-1-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)but-2-yn-1-amine
PubChem CID62309941
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(3-morpholin-4-ylpropyl)but-2-yn-1-amine
SMILESCC#CCNCCCN1CCOCC1
InChIInChI=1S/C11H20N2O/c1-2-3-5-12-6-4-7-13-8-10-14-11-9-13/h12H,4-11H2,1H3
InChIKeyIDEHXTPVFHPHAP-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 170595450
4-(3-morpholin-4-ylpropylamino)butanenitrile
CID 43236907
2-methyl-1-(3-morpholin-4-ylpropylamino)propan-2-ol
CID 60886953
5-morpholin-4-yl-N-propylpentan-1-amine
CID 62437718
5-(3-morpholin-4-ylpropylamino)pentan-1-ol
CID 62227528
2-(2-morpholin-4-ylethylamino)acetonitrile
CID 28583059
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152140
1-[(3-morpholin-4-ylpropylamino)methyl]cyclohexan-1-ol
CID 60899322
1-morpholin-4-yl-2-(3-morpholin-4-ylpropylamino)ethanone
CID 43091152
N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 79038222
N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62655431

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)but-2-yn-1-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)but-2-yn-1-amine (CID 62309941) is N-(3-morpholin-4-ylpropyl)but-2-yn-1-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)but-2-yn-1-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)but-2-yn-1-amine is CC#CCNCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)but-2-yn-1-amine?
The InChIKey is IDEHXTPVFHPHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-3-5-12-6-4-7-13-8-10-14-11-9-13/h12H,4-11H2,1H3.
What are the key properties of N-(3-morpholin-4-ylpropyl)but-2-yn-1-amine?
N-(3-morpholin-4-ylpropyl)but-2-yn-1-amine has a molecular weight of 196.29 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)but-2-yn-1-amine is sourced from PubChem (CID 62309941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).