1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine

C16H24N2 — CID 103838354

IUPAC1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine
SMILESCN1CCc2cc(CNCC3CC3(C)C)ccc21
InChIInChI=1S/C16H24N2/c1-16(2)9-14(16)11-17-10-12-4-5-15-13(8-12)6-7-18(15)3/h4-5,8,14,17H,6-7,9-11H2,1-3H3
InChIKeyIDELEDVLCPXTQA-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.81
Rot. Bonds4

About 1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine

1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine (PubChem CID 103838354) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine
PubChem CID103838354
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine
SMILESCN1CCc2cc(CNCC3CC3(C)C)ccc21
InChIInChI=1S/C16H24N2/c1-16(2)9-14(16)11-17-10-12-4-5-15-13(8-12)6-7-18(15)3/h4-5,8,14,17H,6-7,9-11H2,1-3H3
InChIKeyIDELEDVLCPXTQA-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine
CID 113244920
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 62095490
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 62096486
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 62070317
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
N-[(1-ethylcyclopropyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 103838456
2-N,2-N-dimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propane-1,2-diamine
CID 55035111
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
CID 62094945
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]methanamine
CID 107386248
2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 115756694

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine (CID 103838354) is 1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine is CN1CCc2cc(CNCC3CC3(C)C)ccc21.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine?
The InChIKey is IDELEDVLCPXTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(2)9-14(16)11-17-10-12-4-5-15-13(8-12)6-7-18(15)3/h4-5,8,14,17H,6-7,9-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine?
1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine has a molecular weight of 244.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine is sourced from PubChem (CID 103838354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).