5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine

C16H27N3 — CID 80634568

IUPAC5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CC(C)N)cnc1N(C)CC1CCCC1
InChIInChI=1S/C16H27N3/c1-12-8-15(9-13(2)17)10-18-16(12)19(3)11-14-6-4-5-7-14/h8,10,13-14H,4-7,9,11,17H2,1-3H3
InChIKeyRUIIPLGAECBBAH-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.91
Rot. Bonds5

About 5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine

5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine (PubChem CID 80634568) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine
PubChem CID80634568
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CC(C)N)cnc1N(C)CC1CCCC1
InChIInChI=1S/C16H27N3/c1-12-8-15(9-13(2)17)10-18-16(12)19(3)11-14-6-4-5-7-14/h8,10,13-14H,4-7,9,11,17H2,1-3H3
InChIKeyRUIIPLGAECBBAH-UHFFFAOYSA-N
XLogP2.91
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine (CID 80634568) is 5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine is Cc1cc(CC(C)N)cnc1N(C)CC1CCCC1.
What is the InChIKey of 5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine?
The InChIKey is RUIIPLGAECBBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-8-15(9-13(2)17)10-18-16(12)19(3)11-14-6-4-5-7-14/h8,10,13-14H,4-7,9,11,17H2,1-3H3.
What are the key properties of 5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine?
5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 80634568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).