1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine

C16H30N2 — CID 54975374

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine
SMILESCNC1CCN(C(C)C2CC3CCC2C3)C(C)C1
InChIInChI=1S/C16H30N2/c1-11-8-15(17-3)6-7-18(11)12(2)16-10-13-4-5-14(16)9-13/h11-17H,4-10H2,1-3H3
InChIKeyHIRMJTZCZCZMBP-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.88
Rot. Bonds3

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine (PubChem CID 54975374) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine
PubChem CID54975374
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine
SMILESCNC1CCN(C(C)C2CC3CCC2C3)C(C)C1
InChIInChI=1S/C16H30N2/c1-11-8-15(17-3)6-7-18(11)12(2)16-10-13-4-5-14(16)9-13/h11-17H,4-10H2,1-3H3
InChIKeyHIRMJTZCZCZMBP-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylbutan-2-yl)-N,2-dimethylpiperidin-4-amine
CID 104828479
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine
CID 64933143
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methylamino)pyrrolidin-2-one
CID 54973512
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 43315021
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43178308
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
(2R,4S)-N,1,2-trimethylpiperidin-4-amine
CID 94244018
(2S,4R)-N,1,2-trimethylpiperidin-4-amine
CID 94244017
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
ethane;N,1,2-trimethylpiperidin-4-amine
CID 178011529
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine
CID 64952280
2-methylpropanal;N,1,2-trimethylpiperidin-4-amine
CID 163258783

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine (CID 54975374) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine is CNC1CCN(C(C)C2CC3CCC2C3)C(C)C1.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine?
The InChIKey is HIRMJTZCZCZMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-11-8-15(17-3)6-7-18(11)12(2)16-10-13-4-5-14(16)9-13/h11-17H,4-10H2,1-3H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine has a molecular weight of 250.43 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 54975374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).