N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine

C15H25N3 — CID 61208112

IUPACN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine
SMILESCC(NCC1CCN(C(C)C)C1)c1cccnc1
InChIInChI=1S/C15H25N3/c1-12(2)18-8-6-14(11-18)9-17-13(3)15-5-4-7-16-10-15/h4-5,7,10,12-14,17H,6,8-9,11H2,1-3H3
InChIKeyXDOUZCMZGXQJFV-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.46
Rot. Bonds5

About N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 61208112) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine
PubChem CID61208112
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine
SMILESCC(NCC1CCN(C(C)C)C1)c1cccnc1
InChIInChI=1S/C15H25N3/c1-12(2)18-8-6-14(11-18)9-17-13(3)15-5-4-7-16-10-15/h4-5,7,10,12-14,17H,6,8-9,11H2,1-3H3
InChIKeyXDOUZCMZGXQJFV-UHFFFAOYSA-N
XLogP2.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 28716728
1-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855968
1-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95598516
1-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(1-pyridin-3-ylethyl)urea
CID 56827109
(1R)-N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-pyridin-3-ylethanamine
CID 97158257
1-(3,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207358
3-[1-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]ethyl]benzonitrile
CID 61207369
1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
(1R)-N-[(3-methylcyclohexyl)methyl]-1-pyridin-3-ylethanamine
CID 81404492
1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207729
3-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]-3-azabicyclo[3.3.1]nonan-9-amine
CID 81393237
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine (CID 61208112) is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine is CC(NCC1CCN(C(C)C)C1)c1cccnc1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is XDOUZCMZGXQJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)18-8-6-14(11-18)9-17-13(3)15-5-4-7-16-10-15/h4-5,7,10,12-14,17H,6,8-9,11H2,1-3H3.
What are the key properties of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine?
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 61208112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).