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

C17H29N3 — CID 106906791

IUPACN-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CN2CCCC2C(C)C)n1
InChIInChI=1S/C17H29N3/c1-4-10-18-12-15-7-5-8-16(19-15)13-20-11-6-9-17(20)14(2)3/h5,7-8,14,17-18H,4,6,9-13H2,1-3H3
InChIKeyFCTXNCFEJUWSTR-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.20
Rot. Bonds7

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

N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106906791) 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-1-amine.

Molecular Properties

Compound NameN-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
PubChem CID106906791
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CN2CCCC2C(C)C)n1
InChIInChI=1S/C17H29N3/c1-4-10-18-12-15-7-5-8-16(19-15)13-20-11-6-9-17(20)14(2)3/h5,7-8,14,17-18H,4,6,9-13H2,1-3H3
InChIKeyFCTXNCFEJUWSTR-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906796
N-methyl-6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 79233935
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106905404
N-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907228
N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine
CID 106907036
N-cyclopentyl-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62278994
N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine
CID 106905570
N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62288156
N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906708
N-[[6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906876
N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine
CID 106906203

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine (CID 106906791) is N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(CN2CCCC2C(C)C)n1.
What is the InChIKey of N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is FCTXNCFEJUWSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-10-18-12-15-7-5-8-16(19-15)13-20-11-6-9-17(20)14(2)3/h5,7-8,14,17-18H,4,6,9-13H2,1-3H3.
What are the key properties of N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine?
N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.20, 7 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-1-amine is sourced from PubChem (CID 106906791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).