cis-(1S,3R)-2,2-dimethyl-3-(1-methylindol-5-yl)cyclopropan-1-amine

C14H18N2 — CID 178197579

IUPACcis-(1S,3R)-2,2-dimethyl-3-(1-methylindol-5-yl)cyclopropan-1-amine
SMILESCn1ccc2cc([C@H]3[C@H](N)C3(C)C)ccc21
InChIInChI=1S/C14H18N2/c1-14(2)12(13(14)15)10-4-5-11-9(8-10)6-7-16(11)3/h4-8,12-13H,15H2,1-3H3/t12-,13-/m0/s1
InChIKeyOIBMUVFIRNKYBO-STQMWFEESA-N
MW214.31 g/mol
LogP2.63
Rot. Bonds1

About cis-(1S,3R)-2,2-dimethyl-3-(1-methylindol-5-yl)cyclopropan-1-amine

cis-(1S,3R)-2,2-dimethyl-3-(1-methylindol-5-yl)cyclopropan-1-amine (PubChem CID 178197579) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is cis-(1S,3R)-2,2-dimethyl-3-(1-methylindol-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-2,2-dimethyl-3-(1-methylindol-5-yl)cyclopropan-1-amine
PubChem CID178197579
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Namecis-(1S,3R)-2,2-dimethyl-3-(1-methylindol-5-yl)cyclopropan-1-amine
SMILESCn1ccc2cc([C@H]3[C@H](N)C3(C)C)ccc21
InChIInChI=1S/C14H18N2/c1-14(2)12(13(14)15)10-4-5-11-9(8-10)6-7-16(11)3/h4-8,12-13H,15H2,1-3H3/t12-,13-/m0/s1
InChIKeyOIBMUVFIRNKYBO-STQMWFEESA-N
XLogP2.63
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-(1-methylindol-5-yl)cyclopropan-1-amine?
The IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-(1-methylindol-5-yl)cyclopropan-1-amine (CID 178197579) is cis-(1S,3R)-2,2-dimethyl-3-(1-methylindol-5-yl)cyclopropan-1-amine.
What is the SMILES notation for cis-(1S,3R)-2,2-dimethyl-3-(1-methylindol-5-yl)cyclopropan-1-amine?
The canonical SMILES for cis-(1S,3R)-2,2-dimethyl-3-(1-methylindol-5-yl)cyclopropan-1-amine is Cn1ccc2cc([C@H]3[C@H](N)C3(C)C)ccc21.
What is the InChIKey of cis-(1S,3R)-2,2-dimethyl-3-(1-methylindol-5-yl)cyclopropan-1-amine?
The InChIKey is OIBMUVFIRNKYBO-STQMWFEESA-N. The full InChI is InChI=1S/C14H18N2/c1-14(2)12(13(14)15)10-4-5-11-9(8-10)6-7-16(11)3/h4-8,12-13H,15H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of cis-(1S,3R)-2,2-dimethyl-3-(1-methylindol-5-yl)cyclopropan-1-amine?
cis-(1S,3R)-2,2-dimethyl-3-(1-methylindol-5-yl)cyclopropan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2,2-dimethyl-3-(1-methylindol-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 178197579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).