1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine

C14H23N3 — CID 114957636

IUPAC1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine
SMILESCc1ccncc1CN1CCC(NC(C)C)C1
InChIInChI=1S/C14H23N3/c1-11(2)16-14-5-7-17(10-14)9-13-8-15-6-4-12(13)3/h4,6,8,11,14,16H,5,7,9-10H2,1-3H3
InChIKeyBYPAOSJBHNKXDR-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.96
Rot. Bonds4

About 1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine

1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 114957636) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine
PubChem CID114957636
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine
SMILESCc1ccncc1CN1CCC(NC(C)C)C1
InChIInChI=1S/C14H23N3/c1-11(2)16-14-5-7-17(10-14)9-13-8-15-6-4-12(13)3/h4,6,8,11,14,16H,5,7,9-10H2,1-3H3
InChIKeyBYPAOSJBHNKXDR-UHFFFAOYSA-N
XLogP1.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843370
N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine
CID 67429738
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 112672077
[1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836090
N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900242
1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 79002283
[4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844442
5-ethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,4-diazepane
CID 114957425
N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171994913
6-[(4-methyl-3-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678287
[1-[(4-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120836903
(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine
CID 164836687

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine (CID 114957636) is 1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine is Cc1ccncc1CN1CCC(NC(C)C)C1.
What is the InChIKey of 1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is BYPAOSJBHNKXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)16-14-5-7-17(10-14)9-13-8-15-6-4-12(13)3/h4,6,8,11,14,16H,5,7,9-10H2,1-3H3.
What are the key properties of 1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine?
1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 233.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 114957636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).