N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine

C15H29N3 — CID 60690787

IUPACN-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCN1CCCCC1CCNC1CN2CCC1CC2
InChIInChI=1S/C15H29N3/c1-17-9-3-2-4-14(17)5-8-16-15-12-18-10-6-13(15)7-11-18/h13-16H,2-12H2,1H3
InChIKeyQKVPQDJVQBCBSX-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.54
Rot. Bonds4

About N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine

N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 60690787) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID60690787
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCN1CCCCC1CCNC1CN2CCC1CC2
InChIInChI=1S/C15H29N3/c1-17-9-3-2-4-14(17)5-8-16-15-12-18-10-6-13(15)7-11-18/h13-16H,2-12H2,1H3
InChIKeyQKVPQDJVQBCBSX-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclopentan-1-amine
CID 55067119
1-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-amine
CID 60694644
4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
CID 107913673
(1R,2R,4R)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]bicyclo[2.2.1]heptan-2-amine
CID 98108280
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
CID 62416677
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 28596292
3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 107913946
N-methyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 70383775
N-(2-ethylsulfonylethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43807688
4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508
ethane;N-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 161410894

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 60690787) is N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine is CN1CCCCC1CCNC1CN2CCC1CC2.
What is the InChIKey of N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is QKVPQDJVQBCBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-17-9-3-2-4-14(17)5-8-16-15-12-18-10-6-13(15)7-11-18/h13-16H,2-12H2,1H3.
What are the key properties of N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 251.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 60690787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).