N'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine

C13H21N3 — CID 117246505

IUPACN'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine
SMILESNCC(CNC1CCCC1)c1ccncc1
InChIInChI=1S/C13H21N3/c14-9-12(11-5-7-15-8-6-11)10-16-13-3-1-2-4-13/h5-8,12-13,16H,1-4,9-10,14H2
InChIKeyNNFWXKLNQYROJO-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.66
Rot. Bonds5

About N'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine

N'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine (PubChem CID 117246505) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine
PubChem CID117246505
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine
SMILESNCC(CNC1CCCC1)c1ccncc1
InChIInChI=1S/C13H21N3/c14-9-12(11-5-7-15-8-6-11)10-16-13-3-1-2-4-13/h5-8,12-13,16H,1-4,9-10,14H2
InChIKeyNNFWXKLNQYROJO-UHFFFAOYSA-N
XLogP1.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine
CID 82936425
3-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol
CID 117242834
N-(2-phenylbutyl)cyclopentanamine
CID 60664890
2-[1-amino-3-(cyclobutylamino)propan-2-yl]phenol
CID 117243823
N-(pyridin-4-ylmethyl)cyclooctanamine
CID 4722994
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine
CID 63115195
N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine
CID 63633114
N-(2-methyl-1-pyridin-4-ylpropyl)cyclopentanamine
CID 115720159
1-N-cyclopentyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine
CID 62568294
N-[2-(2-methyl-4-pyridinyl)propyl]cyclohexanamine
CID 21279052
N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 117244514

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine (CID 117246505) is N'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine is NCC(CNC1CCCC1)c1ccncc1.
What is the InChIKey of N'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine?
The InChIKey is NNFWXKLNQYROJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-9-12(11-5-7-15-8-6-11)10-16-13-3-1-2-4-13/h5-8,12-13,16H,1-4,9-10,14H2.
What are the key properties of N'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine?
N'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine has a molecular weight of 219.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 117246505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).