N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine

C18H27N3 — CID 102916924

IUPACN-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine
SMILESCCN(CC)CCn1ccc2ccc(CNC3CC3)cc21
InChIInChI=1S/C18H27N3/c1-3-20(4-2)11-12-21-10-9-16-6-5-15(13-18(16)21)14-19-17-7-8-17/h5-6,9-10,13,17,19H,3-4,7-8,11-12,14H2,1-2H3
InChIKeyUVVFKBNQKLCEGR-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.24
Rot. Bonds8

About N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine

N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine (PubChem CID 102916924) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine
PubChem CID102916924
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine
SMILESCCN(CC)CCn1ccc2ccc(CNC3CC3)cc21
InChIInChI=1S/C18H27N3/c1-3-20(4-2)11-12-21-10-9-16-6-5-15(13-18(16)21)14-19-17-7-8-17/h5-6,9-10,13,17,19H,3-4,7-8,11-12,14H2,1-2H3
InChIKeyUVVFKBNQKLCEGR-UHFFFAOYSA-N
XLogP3.24
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(oxolan-2-yl)ethyl]indol-6-yl]methyl]cyclopropanamine
CID 65165692
ethyl 2-[6-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 102916947
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine
CID 102916925
N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402201
3-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
CID 102916239
4-[1-[2-(diethylamino)ethyl]indol-6-yl]-2-sulfanyloxan-2-ol
CID 139928525
3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 102916680
N-[[4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421784
N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine
CID 62567358
N-cyclopropyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916690
N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102769498
2-[5-[(cyclopropylamino)methyl]indol-1-yl]-N-methylacetamide
CID 102916232

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine (CID 102916924) is N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine is CCN(CC)CCn1ccc2ccc(CNC3CC3)cc21.
What is the InChIKey of N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine?
The InChIKey is UVVFKBNQKLCEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-20(4-2)11-12-21-10-9-16-6-5-15(13-18(16)21)14-19-17-7-8-17/h5-6,9-10,13,17,19H,3-4,7-8,11-12,14H2,1-2H3.
What are the key properties of N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine?
N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine has a molecular weight of 285.44 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102916924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).