1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine

C20H31N3 — CID 100752528

IUPAC1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine
SMILESc1cc(N2CCCCC2)ncc1CNC(C1CCC1)C1CCC1
InChIInChI=1S/C20H31N3/c1-2-12-23(13-3-1)19-11-10-16(14-21-19)15-22-20(17-6-4-7-17)18-8-5-9-18/h10-11,14,17-18,20,22H,1-9,12-13,15H2
InChIKeyYELSHEXUMFQFKV-UHFFFAOYSA-N
MW313.49 g/mol
LogP4.13
Rot. Bonds6

About 1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine

1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine (PubChem CID 100752528) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is 1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine
PubChem CID100752528
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine
SMILESc1cc(N2CCCCC2)ncc1CNC(C1CCC1)C1CCC1
InChIInChI=1S/C20H31N3/c1-2-12-23(13-3-1)19-11-10-16(14-21-19)15-22-20(17-6-4-7-17)18-8-5-9-18/h10-11,14,17-18,20,22H,1-9,12-13,15H2
InChIKeyYELSHEXUMFQFKV-UHFFFAOYSA-N
XLogP4.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
(3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine
CID 97224310
N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55055089
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[(2S)-2-cyclopropyl-2-hydroxyethyl]urea
CID 97310846
(2R)-3-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]propanoic acid
CID 120511564
1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 167851736
N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 62280369
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methyl-3-propan-2-ylguanidine
CID 111125338
N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62282119
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35388805
2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
CID 109380363

Frequently Asked Questions

What is the IUPAC name of 1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine (CID 100752528) is 1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine is c1cc(N2CCCCC2)ncc1CNC(C1CCC1)C1CCC1.
What is the InChIKey of 1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine?
The InChIKey is YELSHEXUMFQFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3/c1-2-12-23(13-3-1)19-11-10-16(14-21-19)15-22-20(17-6-4-7-17)18-8-5-9-18/h10-11,14,17-18,20,22H,1-9,12-13,15H2.
What are the key properties of 1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine?
1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine has a molecular weight of 313.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 100752528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).