2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine

C17H29N — CID 105012693

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine
SMILESCCNC(CC1CC2CCC1C2)C1CC2CC2C1
InChIInChI=1S/C17H29N/c1-2-18-17(16-8-14-7-15(14)9-16)10-13-6-11-3-4-12(13)5-11/h11-18H,2-10H2,1H3
InChIKeyRFNKEMOHKNQBIL-UHFFFAOYSA-N
MW247.43 g/mol
LogP3.84
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine (PubChem CID 105012693) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine
PubChem CID105012693
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine
SMILESCCNC(CC1CC2CCC1C2)C1CC2CC2C1
InChIInChI=1S/C17H29N/c1-2-18-17(16-8-14-7-15(14)9-16)10-13-6-11-3-4-12(13)5-11/h11-18H,2-10H2,1H3
InChIKeyRFNKEMOHKNQBIL-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 104988995
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine
CID 79561773
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine
CID 79563313
1-(2-bicyclo[2.2.1]heptanyl)-N-ethylpent-4-yn-2-amine
CID 114977789
[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-propan-2-ylcyclohexyl)ethyl]hydrazine
CID 105232617
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115850124
4-(2-bicyclo[2.2.1]heptanyl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 113291286
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-N-ethylpentan-2-amine
CID 116717001
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylheptan-2-amine
CID 115845637
1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
CID 79550552
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105012642

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine (CID 105012693) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine is CCNC(CC1CC2CCC1C2)C1CC2CC2C1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine?
The InChIKey is RFNKEMOHKNQBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-2-18-17(16-8-14-7-15(14)9-16)10-13-6-11-3-4-12(13)5-11/h11-18H,2-10H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine has a molecular weight of 247.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine is sourced from PubChem (CID 105012693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).