N-(3-pyridin-4-ylpropyl)cyclopropanamine

C11H16N2 — CID 62549515

IUPACN-(3-pyridin-4-ylpropyl)cyclopropanamine
SMILESc1cc(CCCNC2CC2)ccn1
InChIInChI=1S/C11H16N2/c1(7-13-11-3-4-11)2-10-5-8-12-9-6-10/h5-6,8-9,11,13H,1-4,7H2
InChIKeyTYFJTVMYIZRKIM-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.77
Rot. Bonds5

About N-(3-pyridin-4-ylpropyl)cyclopropanamine

N-(3-pyridin-4-ylpropyl)cyclopropanamine (PubChem CID 62549515) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-(3-pyridin-4-ylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-pyridin-4-ylpropyl)cyclopropanamine
PubChem CID62549515
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-(3-pyridin-4-ylpropyl)cyclopropanamine
SMILESc1cc(CCCNC2CC2)ccn1
InChIInChI=1S/C11H16N2/c1(7-13-11-3-4-11)2-10-5-8-12-9-6-10/h5-6,8-9,11,13H,1-4,7H2
InChIKeyTYFJTVMYIZRKIM-UHFFFAOYSA-N
XLogP1.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 60864534
N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide
CID 81478902
3,4-dimethyl-N-(2-pyridin-4-ylethyl)cyclohexan-1-amine
CID 64746199
N-[4-(4-iodophenyl)butyl]cyclopropanamine
CID 65489763
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine
CID 55074275
N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine
CID 55077915
N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 115689729
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 54943739
N-(2-pyridin-4-ylethyl)oxan-3-amine
CID 63363456
4-(3-phenylpropylamino)cyclohexan-1-one
CID 15290860

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-4-ylpropyl)cyclopropanamine?
The IUPAC name of N-(3-pyridin-4-ylpropyl)cyclopropanamine (CID 62549515) is N-(3-pyridin-4-ylpropyl)cyclopropanamine.
What is the SMILES notation for N-(3-pyridin-4-ylpropyl)cyclopropanamine?
The canonical SMILES for N-(3-pyridin-4-ylpropyl)cyclopropanamine is c1cc(CCCNC2CC2)ccn1.
What is the InChIKey of N-(3-pyridin-4-ylpropyl)cyclopropanamine?
The InChIKey is TYFJTVMYIZRKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1(7-13-11-3-4-11)2-10-5-8-12-9-6-10/h5-6,8-9,11,13H,1-4,7H2.
What are the key properties of N-(3-pyridin-4-ylpropyl)cyclopropanamine?
N-(3-pyridin-4-ylpropyl)cyclopropanamine has a molecular weight of 176.26 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-4-ylpropyl)cyclopropanamine is sourced from PubChem (CID 62549515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).