4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine

C16H25N3O — CID 95139063

IUPAC4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCc1ccnc(NC[C@H]2CCN(C[C@@H]3CCOC3)C2)c1
InChIInChI=1S/C16H25N3O/c1-13-2-5-17-16(8-13)18-9-14-3-6-19(10-14)11-15-4-7-20-12-15/h2,5,8,14-15H,3-4,6-7,9-12H2,1H3,(H,17,18)/t14-,15+/m1/s1
InChIKeyVSRJJXFHIWADOC-CABCVRRESA-N
MW275.40 g/mol
LogP2.16
Rot. Bonds5

About 4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine

4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 95139063) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID95139063
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCc1ccnc(NC[C@H]2CCN(C[C@@H]3CCOC3)C2)c1
InChIInChI=1S/C16H25N3O/c1-13-2-5-17-16(8-13)18-9-14-3-6-19(10-14)11-15-4-7-20-12-15/h2,5,8,14-15H,3-4,6-7,9-12H2,1H3,(H,17,18)/t14-,15+/m1/s1
InChIKeyVSRJJXFHIWADOC-CABCVRRESA-N
XLogP2.16
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine with MolForge

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Related Compounds

N-cyclopropyl-3-[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]propanamide
CID 95139160
1-methyl-4-[[(3R)-3-[[(4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]pyridin-2-one
CID 95140081
6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 124735336
4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
CID 124886630
4-methyl-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413738
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329841
N-[[4-(oxolan-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872272
N-methyl-1-[1-(oxolan-3-ylmethyl)piperidin-3-yl]methanamine
CID 61204128
4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine
CID 155201522
5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine
CID 83265537
4-methyl-N-[(2-methylcyclobutyl)methyl]pyridin-2-amine
CID 130848876
ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine
CID 168930336

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 95139063) is 4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine is Cc1ccnc(NC[C@H]2CCN(C[C@@H]3CCOC3)C2)c1.
What is the InChIKey of 4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is VSRJJXFHIWADOC-CABCVRRESA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-2-5-17-16(8-13)18-9-14-3-6-19(10-14)11-15-4-7-20-12-15/h2,5,8,14-15H,3-4,6-7,9-12H2,1H3,(H,17,18)/t14-,15+/m1/s1.
What are the key properties of 4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?
4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(3R)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 95139063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).