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

C17H29N3O — CID 106908103

IUPACN-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(COCCC2CCCN2C)n1
InChIInChI=1S/C17H29N3O/c1-14(2)18-12-15-6-4-7-16(19-15)13-21-11-9-17-8-5-10-20(17)3/h4,6-7,14,17-18H,5,8-13H2,1-3H3
InChIKeyFNSHVLLVDRSJQX-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.58
Rot. Bonds8

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

N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 106908103) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine
PubChem CID106908103
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(COCCC2CCCN2C)n1
InChIInChI=1S/C17H29N3O/c1-14(2)18-12-15-6-4-7-16(19-15)13-21-11-9-17-8-5-10-20(17)3/h4,6-7,14,17-18H,5,8-13H2,1-3H3
InChIKeyFNSHVLLVDRSJQX-UHFFFAOYSA-N
XLogP2.58
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908281
N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 81251005
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106206102
N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906796
N,1-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]piperidin-4-amine
CID 106905586
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106206138
N-[[6-(2-ethylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62278840
N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine
CID 55077090
N-methyl-1-[5-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine
CID 62459891
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106206173
N-[[6-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62286089

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine (CID 106908103) is N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cccc(COCCC2CCCN2C)n1.
What is the InChIKey of N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is FNSHVLLVDRSJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14(2)18-12-15-6-4-7-16(19-15)13-21-11-9-17-8-5-10-20(17)3/h4,6-7,14,17-18H,5,8-13H2,1-3H3.
What are the key properties of N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine?
N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106908103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).