(1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C17H22N2 — CID 11904832

IUPAC(1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESc1ccc2c(CCN[C@@H]3C[C@H]4CC[C@@H]3C4)c[nH]c2c1
InChIInChI=1S/C17H22N2/c1-2-4-16-15(3-1)14(11-19-16)7-8-18-17-10-12-5-6-13(17)9-12/h1-4,11-13,17-19H,5-10H2/t12-,13+,17+/m0/s1
InChIKeyBFECIGCDJBMKMC-OGHNNQOOSA-N
MW254.38 g/mol
LogP3.49
Rot. Bonds4

About (1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

(1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 11904832) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID11904832
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESc1ccc2c(CCN[C@@H]3C[C@H]4CC[C@@H]3C4)c[nH]c2c1
InChIInChI=1S/C17H22N2/c1-2-4-16-15(3-1)14(11-19-16)7-8-18-17-10-12-5-6-13(17)9-12/h1-4,11-13,17-19H,5-10H2/t12-,13+,17+/m0/s1
InChIKeyBFECIGCDJBMKMC-OGHNNQOOSA-N
XLogP3.49
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 11919271
N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43078792
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11937963
cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine
CID 97235647
N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81302824
N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63420547
N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 1378371
N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine
CID 167072734
1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42882027
2-(2-bicyclo[2.2.1]heptanyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 51166897
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79828848
N-[2-(1H-indol-3-yl)ethyl]cyclopropanesulfonamide
CID 113250435

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 11904832) is (1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is c1ccc2c(CCN[C@@H]3C[C@H]4CC[C@@H]3C4)c[nH]c2c1.
What is the InChIKey of (1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is BFECIGCDJBMKMC-OGHNNQOOSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-4-16-15(3-1)14(11-19-16)7-8-18-17-10-12-5-6-13(17)9-12/h1-4,11-13,17-19H,5-10H2/t12-,13+,17+/m0/s1.
What are the key properties of (1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
(1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 11904832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).