N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine

C15H29N3 — CID 65472979

IUPACN-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine
SMILESCCNC1CCN(C2CC3CCCC(C2)N3C)C1
InChIInChI=1S/C15H29N3/c1-3-16-12-7-8-18(11-12)15-9-13-5-4-6-14(10-15)17(13)2/h12-16H,3-11H2,1-2H3
InChIKeyJTDWDBJWRSQLOQ-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.69
Rot. Bonds3

About N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine

N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine (PubChem CID 65472979) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine
PubChem CID65472979
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine
SMILESCCNC1CCN(C2CC3CCCC(C2)N3C)C1
InChIInChI=1S/C15H29N3/c1-3-16-12-7-8-18(11-12)15-9-13-5-4-6-14(10-15)17(13)2/h12-16H,3-11H2,1-2H3
InChIKeyJTDWDBJWRSQLOQ-UHFFFAOYSA-N
XLogP1.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43315476
1-cyclopentyl-N-ethylpiperidin-4-amine
CID 43315368
1-cyclopentyl-N-(2-methylbutyl)pyrrolidin-3-amine
CID 115887460
N-ethyl-1-(1-methylpiperidin-3-yl)piperidin-4-amine
CID 61223610
1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine
CID 43315216
N-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine
CID 114122749
N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79618174
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79914133
N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471043
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine
CID 54967299
N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine
CID 79618408

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine?
The IUPAC name of N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine (CID 65472979) is N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine is CCNC1CCN(C2CC3CCCC(C2)N3C)C1.
What is the InChIKey of N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine?
The InChIKey is JTDWDBJWRSQLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-3-16-12-7-8-18(11-12)15-9-13-5-4-6-14(10-15)17(13)2/h12-16H,3-11H2,1-2H3.
What are the key properties of N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine?
N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine has a molecular weight of 251.42 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 65472979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).