N-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine

C18H31N3 — CID 80638608

IUPACN-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCCC1(CC)CCN(c2ncc(CNC(C)C)cc2C)C1
InChIInChI=1S/C18H31N3/c1-6-18(7-2)8-9-21(13-18)17-15(5)10-16(12-20-17)11-19-14(3)4/h10,12,14,19H,6-9,11,13H2,1-5H3
InChIKeyJMYRSZJQTBXDQQ-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.90
Rot. Bonds6

About N-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine

N-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine (PubChem CID 80638608) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
PubChem CID80638608
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
SMILESCCC1(CC)CCN(c2ncc(CNC(C)C)cc2C)C1
InChIInChI=1S/C18H31N3/c1-6-18(7-2)8-9-21(13-18)17-15(5)10-16(12-20-17)11-19-14(3)4/h10,12,14,19H,6-9,11,13H2,1-5H3
InChIKeyJMYRSZJQTBXDQQ-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80634619
N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80628155
N-[(5-methyl-6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 80629574
N-[[6-(3,5-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80627944
N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635386
2-[1-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228161
N-[[5-chloro-6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62930984
N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629075
1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635442
N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 82752931
N-[[6-(3,3-dimethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80635474
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80638431

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine (CID 80638608) is N-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine is CCC1(CC)CCN(c2ncc(CNC(C)C)cc2C)C1.
What is the InChIKey of N-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is JMYRSZJQTBXDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-18(7-2)8-9-21(13-18)17-15(5)10-16(12-20-17)11-19-14(3)4/h10,12,14,19H,6-9,11,13H2,1-5H3.
What are the key properties of N-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 80638608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).