1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine

C16H27N3 — CID 106907083

IUPAC1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(CN2CCC(C(C)(C)C)C2)n1
InChIInChI=1S/C16H27N3/c1-16(2,3)13-8-9-19(11-13)12-15-7-5-6-14(18-15)10-17-4/h5-7,13,17H,8-12H2,1-4H3
InChIKeyFHXDXAUHOJDHDX-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.67
Rot. Bonds4

About 1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine

1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine (PubChem CID 106907083) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine
PubChem CID106907083
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(CN2CCC(C(C)(C)C)C2)n1
InChIInChI=1S/C16H27N3/c1-16(2,3)13-8-9-19(11-13)12-15-7-5-6-14(18-15)10-17-4/h5-7,13,17H,8-12H2,1-4H3
InChIKeyFHXDXAUHOJDHDX-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine
CID 106906779
1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine
CID 106905663
1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 106906528
N-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106906741
[6-[(3,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 106907162
1-[6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine
CID 114087777
N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905911
3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 58235129
2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906466
N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 79233400
6-[(4-tert-butylazepan-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904201
[5-[(3-tert-butylpyrrolidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103061199

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine (CID 106907083) is 1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine is CNCc1cccc(CN2CCC(C(C)(C)C)C2)n1.
What is the InChIKey of 1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine?
The InChIKey is FHXDXAUHOJDHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-16(2,3)13-8-9-19(11-13)12-15-7-5-6-14(18-15)10-17-4/h5-7,13,17H,8-12H2,1-4H3.
What are the key properties of 1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine?
1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 106907083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).