[(1R,3R)-2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methanamine

C14H22N2 — CID 178197398

IUPAC[(1R,3R)-2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1cc2c([nH]1)CCCC2
InChIInChI=1S/C14H22N2/c1-14(2)10(8-15)13(14)12-7-9-5-3-4-6-11(9)16-12/h7,10,13,16H,3-6,8,15H2,1-2H3/t10-,13+/m1/s1
InChIKeyYNOFQIJNVYGYBG-MFKMUULPSA-N
MW218.34 g/mol
LogP2.59
Rot. Bonds2

About [(1R,3R)-2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methanamine

[(1R,3R)-2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methanamine (PubChem CID 178197398) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is [(1R,3R)-2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,3R)-2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methanamine
PubChem CID178197398
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name[(1R,3R)-2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1cc2c([nH]1)CCCC2
InChIInChI=1S/C14H22N2/c1-14(2)10(8-15)13(14)12-7-9-5-3-4-6-11(9)16-12/h7,10,13,16H,3-6,8,15H2,1-2H3/t10-,13+/m1/s1
InChIKeyYNOFQIJNVYGYBG-MFKMUULPSA-N
XLogP2.59
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methanamine?
The IUPAC name of [(1R,3R)-2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methanamine (CID 178197398) is [(1R,3R)-2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methanamine.
What is the SMILES notation for [(1R,3R)-2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methanamine?
The canonical SMILES for [(1R,3R)-2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methanamine is CC1(C)[C@H](CN)[C@H]1c1cc2c([nH]1)CCCC2.
What is the InChIKey of [(1R,3R)-2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methanamine?
The InChIKey is YNOFQIJNVYGYBG-MFKMUULPSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2)10(8-15)13(14)12-7-9-5-3-4-6-11(9)16-12/h7,10,13,16H,3-6,8,15H2,1-2H3/t10-,13+/m1/s1.
What are the key properties of [(1R,3R)-2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methanamine?
[(1R,3R)-2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-2,2-dimethyl-3-(4,5,6,7-tetrahydro-1H-indol-2-yl)cyclopropyl]methanamine is sourced from PubChem (CID 178197398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).