N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine

C17H22N2O — CID 124758127

IUPACN-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
SMILESc1cc2cc(CN(C[C@H]3CCOC3)C3CC3)ccc2[nH]1
InChIInChI=1S/C17H22N2O/c1-4-17-15(5-7-18-17)9-13(1)10-19(16-2-3-16)11-14-6-8-20-12-14/h1,4-5,7,9,14,16,18H,2-3,6,8,10-12H2/t14-/m1/s1
InChIKeyXUWJQBBQAVVDEB-CQSZACIVSA-N
MW270.38 g/mol
LogP3.17
Rot. Bonds5

About N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine

N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 124758127) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
PubChem CID124758127
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
SMILESc1cc2cc(CN(C[C@H]3CCOC3)C3CC3)ccc2[nH]1
InChIInChI=1S/C17H22N2O/c1-4-17-15(5-7-18-17)9-13(1)10-19(16-2-3-16)11-14-6-8-20-12-14/h1,4-5,7,9,14,16,18H,2-3,6,8,10-12H2/t14-/m1/s1
InChIKeyXUWJQBBQAVVDEB-CQSZACIVSA-N
XLogP3.17
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-indol-5-ylmethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]cyclopropanamine
CID 91834255
N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 46990657
2-[4-[[cyclopropyl(oxolan-3-ylmethyl)amino]methyl]phenyl]benzonitrile
CID 87017036
N-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
CID 51964622
(6S)-4-(cyclopropylmethyl)-6-(1H-indol-5-ylmethyl)-1,4-oxazepane
CID 125013548
N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 56919076
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide
CID 119070678
N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 46962663
5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-1H-indole
CID 77090131
2-cyclopropyl-1-[6-(1H-indol-5-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 127245916
(6S)-6-(1H-indol-5-ylmethyl)-4-prop-2-enyl-1,4-oxazepane
CID 124963938
(6R)-6-(1H-indol-5-ylmethyl)-4-prop-2-enyl-1,4-oxazepane
CID 124963939

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine (CID 124758127) is N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine is c1cc2cc(CN(C[C@H]3CCOC3)C3CC3)ccc2[nH]1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is XUWJQBBQAVVDEB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-17-15(5-7-18-17)9-13(1)10-19(16-2-3-16)11-14-6-8-20-12-14/h1,4-5,7,9,14,16,18H,2-3,6,8,10-12H2/t14-/m1/s1.
What are the key properties of N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine?
N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 270.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 124758127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).