N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine

C16H27N3O — CID 81251005

IUPACN-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnccc1OCCC1CCCN1C
InChIInChI=1S/C16H27N3O/c1-13(2)18-12-14-11-17-8-6-16(14)20-10-7-15-5-4-9-19(15)3/h6,8,11,13,15,18H,4-5,7,9-10,12H2,1-3H3
InChIKeyUOROKSDDVPRPJX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.44
Rot. Bonds7

About N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine

N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81251005) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine
PubChem CID81251005
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnccc1OCCC1CCCN1C
InChIInChI=1S/C16H27N3O/c1-13(2)18-12-14-11-17-8-6-16(14)20-10-7-15-5-4-9-19(15)3/h6,8,11,13,15,18H,4-5,7,9-10,12H2,1-3H3
InChIKeyUOROKSDDVPRPJX-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81250859
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methanol
CID 81238136
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]-4-pyridinyl]methyl]ethanamine
CID 105075391
N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 115505738
N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
CID 81254870
N-[[4-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254203
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183
2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
CID 70084803
[4-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 81250968
1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
CID 20738685
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine (CID 81251005) is N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cnccc1OCCC1CCCN1C.
What is the InChIKey of N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is UOROKSDDVPRPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)18-12-14-11-17-8-6-16(14)20-10-7-15-5-4-9-19(15)3/h6,8,11,13,15,18H,4-5,7,9-10,12H2,1-3H3.
What are the key properties of N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine?
N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81251005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).