1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide

C16H22N4O — CID 119891229

IUPAC1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide
SMILESCN(C)CCn1ccc2ccc(NC(=O)C3(N)CC3)cc21
InChIInChI=1S/C16H22N4O/c1-19(2)9-10-20-8-5-12-3-4-13(11-14(12)20)18-15(21)16(17)6-7-16/h3-5,8,11H,6-7,9-10,17H2,1-2H3,(H,18,21)
InChIKeyOFUOHJVYKYQEJI-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.63
Rot. Bonds5

About 1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide

1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide (PubChem CID 119891229) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide
PubChem CID119891229
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide
SMILESCN(C)CCn1ccc2ccc(NC(=O)C3(N)CC3)cc21
InChIInChI=1S/C16H22N4O/c1-19(2)9-10-20-8-5-12-3-4-13(11-14(12)20)18-15(21)16(17)6-7-16/h3-5,8,11H,6-7,9-10,17H2,1-2H3,(H,18,21)
InChIKeyOFUOHJVYKYQEJI-UHFFFAOYSA-N
XLogP1.63
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide (CID 119891229) is 1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide is CN(C)CCn1ccc2ccc(NC(=O)C3(N)CC3)cc21.
What is the InChIKey of 1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide?
The InChIKey is OFUOHJVYKYQEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19(2)9-10-20-8-5-12-3-4-13(11-14(12)20)18-15(21)16(17)6-7-16/h3-5,8,11H,6-7,9-10,17H2,1-2H3,(H,18,21).
What are the key properties of 1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide?
1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119891229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).