N-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine

C16H27NO — CID 115714382

IUPACN-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC(NC1CC2CC1C1CCCC21)C1CCOC1
InChIInChI=1S/C16H27NO/c1-10(11-5-6-18-9-11)17-16-8-12-7-15(16)14-4-2-3-13(12)14/h10-17H,2-9H2,1H3
InChIKeyYGOCMIXQPAAEKV-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.83
Rot. Bonds3

About N-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 115714382) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID115714382
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC(NC1CC2CC1C1CCCC21)C1CCOC1
InChIInChI=1S/C16H27NO/c1-10(11-5-6-18-9-11)17-16-8-12-7-15(16)14-4-2-3-13(12)14/h10-17H,2-9H2,1H3
InChIKeyYGOCMIXQPAAEKV-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 113260108
2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide
CID 43402411
N-[1-(oxolan-3-yl)ethyl]cyclopent-3-en-1-amine
CID 115728380
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine
CID 130500255
N-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine
CID 130525548
3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine
CID 115714653
2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 43700055
2-imidazol-1-yl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine
CID 113483391
N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223790
2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)oxolan-3-amine
CID 115337056

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 115714382) is N-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine is CC(NC1CC2CC1C1CCCC21)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is YGOCMIXQPAAEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-10(11-5-6-18-9-11)17-16-8-12-7-15(16)14-4-2-3-13(12)14/h10-17H,2-9H2,1H3.
What are the key properties of N-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 249.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 115714382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).