2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine

C15H20N2 — CID 117118817

IUPAC2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine
SMILESCC(C)(N)c1cn(CC2CC2)c2ccccc12
InChIInChI=1S/C15H20N2/c1-15(2,16)13-10-17(9-11-7-8-11)14-6-4-3-5-12(13)14/h3-6,10-11H,7-9,16H2,1-2H3
InChIKeyYIBHBLNYQHEFMN-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.25
Rot. Bonds3

About 2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine

2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine (PubChem CID 117118817) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine
PubChem CID117118817
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine
SMILESCC(C)(N)c1cn(CC2CC2)c2ccccc12
InChIInChI=1S/C15H20N2/c1-15(2,16)13-10-17(9-11-7-8-11)14-6-4-3-5-12(13)14/h3-6,10-11H,7-9,16H2,1-2H3
InChIKeyYIBHBLNYQHEFMN-UHFFFAOYSA-N
XLogP3.25
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol
CID 117118920
1-(cyclopropylmethyl)indole-3-sulfonyl chloride
CID 82696799
1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
CID 115107167
3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid
CID 63937608
2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide
CID 67239924
3-tert-butyl-1-propylindole
CID 137421343
1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide
CID 167312296
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)indole-3-carboxamide
CID 132988665
4-[4-[1-(cyclohexylmethyl)indol-3-yl]-4-(2-methylphenyl)butyl]cyclohexan-1-amine
CID 161181861
1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid
CID 54164902
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine
CID 115107196

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine?
The IUPAC name of 2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine (CID 117118817) is 2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine?
The canonical SMILES for 2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine is CC(C)(N)c1cn(CC2CC2)c2ccccc12.
What is the InChIKey of 2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine?
The InChIKey is YIBHBLNYQHEFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-15(2,16)13-10-17(9-11-7-8-11)14-6-4-3-5-12(13)14/h3-6,10-11H,7-9,16H2,1-2H3.
What are the key properties of 2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine?
2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine has a molecular weight of 228.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)indol-3-yl]propan-2-amine is sourced from PubChem (CID 117118817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).