N-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine

C15H29N3 — CID 105364941

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCN1CCC(CCNC2CCN3CCC2C3)CC1
InChIInChI=1S/C15H29N3/c1-17-8-3-13(4-9-17)2-7-16-15-6-11-18-10-5-14(15)12-18/h13-16H,2-12H2,1H3
InChIKeyFVGRYWYUKHQGIO-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.40
Rot. Bonds4

About N-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364941) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364941
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCN1CCC(CCNC2CCN3CCC2C3)CC1
InChIInChI=1S/C15H29N3/c1-17-8-3-13(4-9-17)2-7-16-15-6-11-18-10-5-14(15)12-18/h13-16H,2-12H2,1H3
InChIKeyFVGRYWYUKHQGIO-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364921
tert-butyl 3-[2-(1-azabicyclo[3.2.1]octan-4-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249052
N-(1-azabicyclo[3.2.1]octan-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 105364559
N-octyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105364790
N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 114515203
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 114515257
1,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-amine
CID 115717377
N-(4-methylsulfanylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364898
N-[2-(1-methylpiperidin-4-yl)ethyl]cyclooctanamine
CID 115717422
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
CID 104859771
N-(2-cyclobutylethyl)-1-methylpiperidin-4-amine
CID 115893453
N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363775

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105364941) is N-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine is CN1CCC(CCNC2CCN3CCC2C3)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is FVGRYWYUKHQGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-17-8-3-13(4-9-17)2-7-16-15-6-11-18-10-5-14(15)12-18/h13-16H,2-12H2,1H3.
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 251.42 g/mol, XLogP of 1.40, 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-4-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).