N-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine

C16H27N3 — CID 102540130

IUPACN-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine
SMILESCC(C)CNc1ncccc1C1CCCN1C(C)C
InChIInChI=1S/C16H27N3/c1-12(2)11-18-16-14(7-5-9-17-16)15-8-6-10-19(15)13(3)4/h5,7,9,12-13,15H,6,8,10-11H2,1-4H3,(H,17,18)
InChIKeyUAWUNIWKMNGZSC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.69
Rot. Bonds5

About N-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine

N-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine (PubChem CID 102540130) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine
PubChem CID102540130
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine
SMILESCC(C)CNc1ncccc1C1CCCN1C(C)C
InChIInChI=1S/C16H27N3/c1-12(2)11-18-16-14(7-5-9-17-16)15-8-6-10-19(15)13(3)4/h5,7,9,12-13,15H,6,8,10-11H2,1-4H3,(H,17,18)
InChIKeyUAWUNIWKMNGZSC-UHFFFAOYSA-N
XLogP3.69
TPSA28.16 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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine?
The IUPAC name of N-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine (CID 102540130) is N-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine?
The canonical SMILES for N-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine is CC(C)CNc1ncccc1C1CCCN1C(C)C.
What is the InChIKey of N-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine?
The InChIKey is UAWUNIWKMNGZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12(2)11-18-16-14(7-5-9-17-16)15-8-6-10-19(15)13(3)4/h5,7,9,12-13,15H,6,8,10-11H2,1-4H3,(H,17,18).
What are the key properties of N-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine?
N-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine is sourced from PubChem (CID 102540130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).