3-[1-[(dimethylamino)methyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]propan-1-ol

C17H24N2O — CID 56987392

IUPAC3-[1-[(dimethylamino)methyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]propan-1-ol
SMILESCN(C)CC1CC(CCCO)c2[nH]c3ccccc3c21
InChIInChI=1S/C17H24N2O/c1-19(2)11-13-10-12(6-5-9-20)17-16(13)14-7-3-4-8-15(14)18-17/h3-4,7-8,12-13,18,20H,5-6,9-11H2,1-2H3
InChIKeyLNMWRBDGWPMJAN-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.07
Rot. Bonds5

About 3-[1-[(dimethylamino)methyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]propan-1-ol

3-[1-[(dimethylamino)methyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]propan-1-ol (PubChem CID 56987392) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-[1-[(dimethylamino)methyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(dimethylamino)methyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]propan-1-ol
PubChem CID56987392
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-[1-[(dimethylamino)methyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]propan-1-ol
SMILESCN(C)CC1CC(CCCO)c2[nH]c3ccccc3c21
InChIInChI=1S/C17H24N2O/c1-19(2)11-13-10-12(6-5-9-20)17-16(13)14-7-3-4-8-15(14)18-17/h3-4,7-8,12-13,18,20H,5-6,9-11H2,1-2H3
InChIKeyLNMWRBDGWPMJAN-UHFFFAOYSA-N
XLogP3.07
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(dimethylamino)methyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]propan-1-ol?
The IUPAC name of 3-[1-[(dimethylamino)methyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]propan-1-ol (CID 56987392) is 3-[1-[(dimethylamino)methyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(dimethylamino)methyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(dimethylamino)methyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]propan-1-ol is CN(C)CC1CC(CCCO)c2[nH]c3ccccc3c21.
What is the InChIKey of 3-[1-[(dimethylamino)methyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]propan-1-ol?
The InChIKey is LNMWRBDGWPMJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19(2)11-13-10-12(6-5-9-20)17-16(13)14-7-3-4-8-15(14)18-17/h3-4,7-8,12-13,18,20H,5-6,9-11H2,1-2H3.
What are the key properties of 3-[1-[(dimethylamino)methyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]propan-1-ol?
3-[1-[(dimethylamino)methyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]propan-1-ol has a molecular weight of 272.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(dimethylamino)methyl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]propan-1-ol is sourced from PubChem (CID 56987392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).