N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine

C16H25N3O — CID 79783048

IUPACN-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)ncc1OCCCN1CCCC1
InChIInChI=1S/C16H25N3O/c1-2-9-19(8-1)10-3-11-20-16-7-6-15(18-13-16)12-17-14-4-5-14/h6-7,13-14,17H,1-5,8-12H2
InChIKeyYHGKLWKKOVKTBU-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.20
Rot. Bonds8

About N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 79783048) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID79783048
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)ncc1OCCCN1CCCC1
InChIInChI=1S/C16H25N3O/c1-2-9-19(8-1)10-3-11-20-16-7-6-15(18-13-16)12-17-14-4-5-14/h6-7,13-14,17H,1-5,8-12H2
InChIKeyYHGKLWKKOVKTBU-UHFFFAOYSA-N
XLogP2.20
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one
CID 82898570
N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783246
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782097
2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol
CID 79781914
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
CID 79776328
2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79784048
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide
CID 79781169
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 105402634
2-methoxy-N-[[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
CID 79789474
N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783844

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 79783048) is N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine is c1cc(CNC2CC2)ncc1OCCCN1CCCC1.
What is the InChIKey of N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is YHGKLWKKOVKTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-9-19(8-1)10-3-11-20-16-7-6-15(18-13-16)12-17-14-4-5-14/h6-7,13-14,17H,1-5,8-12H2.
What are the key properties of N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 275.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 79783048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).