N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C15H29N3 — CID 114137824

IUPACN-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2CC1CCCN1C
InChIInChI=1S/C15H29N3/c1-3-16-12-9-13-6-7-14(10-12)18(13)11-15-5-4-8-17(15)2/h12-16H,3-11H2,1-2H3
InChIKeyVMLPMAKSEHZGNU-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.69
Rot. Bonds4

About N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 114137824) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID114137824
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2CC1CCCN1C
InChIInChI=1S/C15H29N3/c1-3-16-12-9-13-6-7-14(10-12)18(13)11-15-5-4-8-17(15)2/h12-16H,3-11H2,1-2H3
InChIKeyVMLPMAKSEHZGNU-UHFFFAOYSA-N
XLogP1.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55106669
9-(cyclobutylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713983
N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62738650
N-ethyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712172
N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 79071084
8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740031
9-[(1-methylpyrrolidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 106021072
8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738438
9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713469
N-ethyl-3-(2-methylpyrrolidin-1-yl)cyclopentan-1-amine
CID 79644126
N-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 83024794
9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470274

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 114137824) is N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2CC1CCCN1C.
What is the InChIKey of N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is VMLPMAKSEHZGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-3-16-12-9-13-6-7-14(10-12)18(13)11-15-5-4-8-17(15)2/h12-16H,3-11H2,1-2H3.
What are the key properties of N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 251.42 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 114137824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).