N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine

C13H21N3 — CID 115689729

IUPACN-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine
SMILESc1cc(NCCCNC2CCCC2)ccn1
InChIInChI=1S/C13H21N3/c1-2-5-12(4-1)15-8-3-9-16-13-6-10-14-11-7-13/h6-7,10-12,15H,1-5,8-9H2,(H,14,16)
InChIKeyXOEXZLRBYYQLFH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.42
Rot. Bonds6

About N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine

N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine (PubChem CID 115689729) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine
PubChem CID115689729
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine
SMILESc1cc(NCCCNC2CCCC2)ccn1
InChIInChI=1S/C13H21N3/c1-2-5-12(4-1)15-8-3-9-16-13-6-10-14-11-7-13/h6-7,10-12,15H,1-5,8-9H2,(H,14,16)
InChIKeyXOEXZLRBYYQLFH-UHFFFAOYSA-N
XLogP2.42
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-pyridin-4-yl-N-(thiolan-3-yl)propane-1,3-diamine
CID 115727070
N,N'-dipyridin-4-ylheptane-1,7-diamine
CID 23645208
N-(4-chlorobutyl)pyridin-4-amine
CID 106845129
N-(3-pyridin-4-ylpropyl)cyclopropanamine
CID 62549515
N-cycloheptyl-N'-phenylethane-1,2-diamine
CID 61149751
N,N'-bis(pyridin-4-ylmethyl)butane-1,4-diamine;N,N'-di(piperidin-4-yl)propane-1,3-diamine;N,N'-dipyridin-4-ylbutane-1,4-diamine;N,N'-dipyridin-4-ylpropane-1,3-diamine;6-pyridin-4-yl-N-(2-pyridin-4-ylethyl)hexan-1-amine
CID 160982884
4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide
CID 43599645
N-(pyridin-4-ylmethyl)cyclooctanamine
CID 4722994
4-[3-(cyclopropylamino)propylamino]benzenesulfonamide
CID 43599575
N-cyclopropyl-N'-[3-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 43599663
N-[(2-aminocyclohexyl)methyl]pyridin-4-amine
CID 64926899
trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine
CID 102496168

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine?
The IUPAC name of N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine (CID 115689729) is N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine?
The canonical SMILES for N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine is c1cc(NCCCNC2CCCC2)ccn1.
What is the InChIKey of N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine?
The InChIKey is XOEXZLRBYYQLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-5-12(4-1)15-8-3-9-16-13-6-10-14-11-7-13/h6-7,10-12,15H,1-5,8-9H2,(H,14,16).
What are the key properties of N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine?
N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 115689729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).