N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine

C17H29N3 — CID 106906796

IUPACN-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(CN2CCCC2C(C)C)n1
InChIInChI=1S/C17H29N3/c1-13(2)17-9-6-10-20(17)12-16-8-5-7-15(19-16)11-18-14(3)4/h5,7-8,13-14,17-18H,6,9-12H2,1-4H3
InChIKeyXVWTUWQCUAEOQR-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.20
Rot. Bonds6

About N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine

N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 106906796) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
PubChem CID106906796
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(CN2CCCC2C(C)C)n1
InChIInChI=1S/C17H29N3/c1-13(2)17-9-6-10-20(17)12-16-8-5-7-15(19-16)11-18-14(3)4/h5,7-8,13-14,17-18H,6,9-12H2,1-4H3
InChIKeyXVWTUWQCUAEOQR-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906791
N-methyl-6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 79233935
N-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906683
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906831
N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106905404
N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906708
N,1-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]piperidin-4-amine
CID 106905586
N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106907352
N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62286089
N-[[6-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106905866
N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine
CID 106908103

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine (CID 106906796) is N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cccc(CN2CCCC2C(C)C)n1.
What is the InChIKey of N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is XVWTUWQCUAEOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)17-9-6-10-20(17)12-16-8-5-7-15(19-16)11-18-14(3)4/h5,7-8,13-14,17-18H,6,9-12H2,1-4H3.
What are the key properties of N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106906796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).