(1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine

C15H25N3 — CID 114056368

IUPAC(1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
SMILESC[C@H](N)c1cccnc1N1CCC(C(C)(C)C)C1
InChIInChI=1S/C15H25N3/c1-11(16)13-6-5-8-17-14(13)18-9-7-12(10-18)15(2,3)4/h5-6,8,11-12H,7,9-10,16H2,1-4H3/t11-,12?/m0/s1
InChIKeyBQGWSOKMEWKWIE-PXYINDEMSA-N
MW247.39 g/mol
LogP2.97
Rot. Bonds2

About (1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine

(1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine (PubChem CID 114056368) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
PubChem CID114056368
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
SMILESC[C@H](N)c1cccnc1N1CCC(C(C)(C)C)C1
InChIInChI=1S/C15H25N3/c1-11(16)13-6-5-8-17-14(13)18-9-7-12(10-18)15(2,3)4/h5-6,8,11-12H,7,9-10,16H2,1-4H3/t11-,12?/m0/s1
InChIKeyBQGWSOKMEWKWIE-PXYINDEMSA-N
XLogP2.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-piperidin-1-yl-3-pyridinyl)ethanamine
CID 103846595
1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine
CID 114056181
(1R)-1-[2-(3-ethylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 114055863
(1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine
CID 114056129
(1S)-1-[2-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
CID 78935250
2-[3-[(1S)-1-aminoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114056364
2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62085076
N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105390380
3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136914268
1-[2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-pyridinyl]ethanamine
CID 114087020
(1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine
CID 114056413
2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine
CID 104740262

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine (CID 114056368) is (1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine is C[C@H](N)c1cccnc1N1CCC(C(C)(C)C)C1.
What is the InChIKey of (1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine?
The InChIKey is BQGWSOKMEWKWIE-PXYINDEMSA-N. The full InChI is InChI=1S/C15H25N3/c1-11(16)13-6-5-8-17-14(13)18-9-7-12(10-18)15(2,3)4/h5-6,8,11-12H,7,9-10,16H2,1-4H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine?
(1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 114056368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).