3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine

C17H29N3 — CID 104736483

IUPAC3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCCNC(Cc1cccnc1)C(C)(C)N1CCCC1
InChIInChI=1S/C17H29N3/c1-4-9-19-16(13-15-8-7-10-18-14-15)17(2,3)20-11-5-6-12-20/h7-8,10,14,16,19H,4-6,9,11-13H2,1-3H3
InChIKeyUCFPRSHNMDAJFB-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.87
Rot. Bonds7

About 3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine

3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 104736483) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID104736483
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCCNC(Cc1cccnc1)C(C)(C)N1CCCC1
InChIInChI=1S/C17H29N3/c1-4-9-19-16(13-15-8-7-10-18-14-15)17(2,3)20-11-5-6-12-20/h7-8,10,14,16,19H,4-6,9,11-13H2,1-3H3
InChIKeyUCFPRSHNMDAJFB-UHFFFAOYSA-N
XLogP2.87
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736482
3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79045291
3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051407
1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 66468598
N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine
CID 104736506
3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-amine
CID 104736500
1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051436
3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol
CID 104736143
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 105034440
N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine
CID 66468597

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of 3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine (CID 104736483) is 3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for 3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine is CCCNC(Cc1cccnc1)C(C)(C)N1CCCC1.
What is the InChIKey of 3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is UCFPRSHNMDAJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-9-19-16(13-15-8-7-10-18-14-15)17(2,3)20-11-5-6-12-20/h7-8,10,14,16,19H,4-6,9,11-13H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine?
3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 104736483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).