N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine

C16H20N2 — CID 138608964

IUPACN-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine
SMILESCC(Cc1c[nH]c2ccccc12)NC12CC(C1)C2
InChIInChI=1S/C16H20N2/c1-11(18-16-7-12(8-16)9-16)6-13-10-17-15-5-3-2-4-14(13)15/h2-5,10-12,17-18H,6-9H2,1H3
InChIKeyBVOINHANKYWPHF-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.24
Rot. Bonds4

About N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine

N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine (PubChem CID 138608964) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine
PubChem CID138608964
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine
SMILESCC(Cc1c[nH]c2ccccc12)NC12CC(C1)C2
InChIInChI=1S/C16H20N2/c1-11(18-16-7-12(8-16)9-16)6-13-10-17-15-5-3-2-4-14(13)15/h2-5,10-12,17-18H,6-9H2,1H3
InChIKeyBVOINHANKYWPHF-UHFFFAOYSA-N
XLogP3.24
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine
CID 167072734
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551
1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine
CID 175071767
(2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine
CID 131965234
(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175501585
N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
CID 3497526
3-(2-fluoropropyl)-1H-indole
CID 142409179
N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine
CID 61221927
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine (CID 138608964) is N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine is CC(Cc1c[nH]c2ccccc12)NC12CC(C1)C2.
What is the InChIKey of N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine?
The InChIKey is BVOINHANKYWPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11(18-16-7-12(8-16)9-16)6-13-10-17-15-5-3-2-4-14(13)15/h2-5,10-12,17-18H,6-9H2,1H3.
What are the key properties of N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine?
N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 138608964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).