1-cyclopentyl-4-pyridin-3-ylbutan-2-amine

C14H22N2 — CID 105139079

IUPAC1-cyclopentyl-4-pyridin-3-ylbutan-2-amine
SMILESNC(CCc1cccnc1)CC1CCCC1
InChIInChI=1S/C14H22N2/c15-14(10-12-4-1-2-5-12)8-7-13-6-3-9-16-11-13/h3,6,9,11-12,14H,1-2,4-5,7-8,10,15H2
InChIKeyDIQJYVGNGWABTH-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.92
Rot. Bonds5

About 1-cyclopentyl-4-pyridin-3-ylbutan-2-amine

1-cyclopentyl-4-pyridin-3-ylbutan-2-amine (PubChem CID 105139079) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-cyclopentyl-4-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-4-pyridin-3-ylbutan-2-amine
PubChem CID105139079
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-cyclopentyl-4-pyridin-3-ylbutan-2-amine
SMILESNC(CCc1cccnc1)CC1CCCC1
InChIInChI=1S/C14H22N2/c15-14(10-12-4-1-2-5-12)8-7-13-6-3-9-16-11-13/h3,6,9,11-12,14H,1-2,4-5,7-8,10,15H2
InChIKeyDIQJYVGNGWABTH-UHFFFAOYSA-N
XLogP2.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyclohexyl-4-pyridin-3-ylbutan-2-yl)hydrazine
CID 105296236
1-cyclohexyl-4-pyridin-4-ylbutan-2-amine
CID 105135881
1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
CID 64906812
1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine
CID 105135868
1-pyridin-3-ylhexan-3-amine
CID 64506028
1-cyclohexyl-3-pyridin-3-ylpropan-2-ol
CID 62605827
3-(2-cyclobutylethyl)pyridine
CID 57204476
1-pyridin-3-yl-3-(thian-4-yl)propan-2-amine
CID 105179945
1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105176320
1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127244
3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104736993

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-pyridin-3-ylbutan-2-amine?
The IUPAC name of 1-cyclopentyl-4-pyridin-3-ylbutan-2-amine (CID 105139079) is 1-cyclopentyl-4-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 1-cyclopentyl-4-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 1-cyclopentyl-4-pyridin-3-ylbutan-2-amine is NC(CCc1cccnc1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-pyridin-3-ylbutan-2-amine?
The InChIKey is DIQJYVGNGWABTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-14(10-12-4-1-2-5-12)8-7-13-6-3-9-16-11-13/h3,6,9,11-12,14H,1-2,4-5,7-8,10,15H2.
What are the key properties of 1-cyclopentyl-4-pyridin-3-ylbutan-2-amine?
1-cyclopentyl-4-pyridin-3-ylbutan-2-amine has a molecular weight of 218.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105139079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).