N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine

C16H27N — CID 114246431

IUPACN-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
SMILESCCNCC1(C2CC3CCC2C3)CC2CC2C1
InChIInChI=1S/C16H27N/c1-2-17-10-16(8-13-7-14(13)9-16)15-6-11-3-4-12(15)5-11/h11-15,17H,2-10H2,1H3
InChIKeyJEYYBINWWDYWBP-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.45
Rot. Bonds4

About N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine

N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine (PubChem CID 114246431) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
PubChem CID114246431
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
SMILESCCNCC1(C2CC3CCC2C3)CC2CC2C1
InChIInChI=1S/C16H27N/c1-2-17-10-16(8-13-7-14(13)9-16)15-6-11-3-4-12(15)5-11/h11-15,17H,2-10H2,1H3
InChIKeyJEYYBINWWDYWBP-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]-N-methylmethanamine
CID 130494580
[1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine
CID 130494579
1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol
CID 72700642
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 63682561
3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane
CID 147477215
1-(2-bicyclo[2.2.1]heptanyl)-3-(ethylamino)propan-2-ol
CID 79550552
2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane
CID 130609858
N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63684055
2-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethyl-2-methylbutan-1-amine
CID 79563423
N-[[2-(2-phenylcyclopropyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 116518042
N-[(1-cyclopentylcyclohexyl)methyl]ethanamine
CID 82932904

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine (CID 114246431) is N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine is CCNCC1(C2CC3CCC2C3)CC2CC2C1.
What is the InChIKey of N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine?
The InChIKey is JEYYBINWWDYWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-2-17-10-16(8-13-7-14(13)9-16)15-6-11-3-4-12(15)5-11/h11-15,17H,2-10H2,1H3.
What are the key properties of N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine?
N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine has a molecular weight of 233.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine is sourced from PubChem (CID 114246431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).