2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde

C15H18N2O — CID 115146211

IUPAC2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(NCC2CCCC2)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O/c18-10-13-12-7-3-4-8-14(12)17-15(13)16-9-11-5-1-2-6-11/h3-4,7-8,10-11,16-17H,1-2,5-6,9H2
InChIKeyBHNXIMQZGIWWRR-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.58
Rot. Bonds4

About 2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde

2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde (PubChem CID 115146211) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde
PubChem CID115146211
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(NCC2CCCC2)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O/c18-10-13-12-7-3-4-8-14(12)17-15(13)16-9-11-5-1-2-6-11/h3-4,7-8,10-11,16-17H,1-2,5-6,9H2
InChIKeyBHNXIMQZGIWWRR-UHFFFAOYSA-N
XLogP3.58
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde
CID 115146165
2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile
CID 115146398
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde
CID 115146168
2-(3-methoxypropyl)-1H-indole-3-carbaldehyde
CID 87256999
2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 114457307
4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one
CID 55222341
2,3-bis[(E)-2-cyclohexylethenyl]-1H-indole
CID 122628110
ethane;methyl 3-formyl-1H-indole-2-carboxylate
CID 143494583
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
3-(1-chloro-2-cyclopentylethyl)-9H-carbazole
CID 63433864

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde (CID 115146211) is 2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde is O=Cc1c(NCC2CCCC2)[nH]c2ccccc12.
What is the InChIKey of 2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde?
The InChIKey is BHNXIMQZGIWWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-10-13-12-7-3-4-8-14(12)17-15(13)16-9-11-5-1-2-6-11/h3-4,7-8,10-11,16-17H,1-2,5-6,9H2.
What are the key properties of 2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde?
2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde has a molecular weight of 242.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 115146211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).