2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine

C13H20N4 — CID 70577238

IUPAC2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC1Cc2ccccc2N1
InChIInChI=1S/C13H20N4/c1-9(2)16-13(14)15-8-11-7-10-5-3-4-6-12(10)17-11/h3-6,9,11,17H,7-8H2,1-2H3,(H3,14,15,16)
InChIKeyOJPWBWLQDTZFSH-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.34
Rot. Bonds3

About 2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine

2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine (PubChem CID 70577238) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine
PubChem CID70577238
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC1Cc2ccccc2N1
InChIInChI=1S/C13H20N4/c1-9(2)16-13(14)15-8-11-7-10-5-3-4-6-12(10)17-11/h3-6,9,11,17H,7-8H2,1-2H3,(H3,14,15,16)
InChIKeyOJPWBWLQDTZFSH-UHFFFAOYSA-N
XLogP1.34
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine
CID 130522123
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
2-(2-methylbutyl)-2,3-dihydro-1H-indole
CID 65042120
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methylpropan-2-amine
CID 80567683
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine
CID 80568085
2-(2,3-dihydro-1H-indol-2-yl)-3-methylbutan-2-ol
CID 65042828
2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole
CID 115104067
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride
CID 165454907
2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine
CID 110018170
2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine
CID 62363532
ethyl 3-(2,3-dihydro-1H-indol-2-yl)-2-oxopropanoate
CID 174459150

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine (CID 70577238) is 2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CC1Cc2ccccc2N1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine?
The InChIKey is OJPWBWLQDTZFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9(2)16-13(14)15-8-11-7-10-5-3-4-6-12(10)17-11/h3-6,9,11,17H,7-8H2,1-2H3,(H3,14,15,16).
What are the key properties of 2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine?
2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine has a molecular weight of 232.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 70577238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).