3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine

C17H26N2O — CID 62097378

IUPAC3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine
SMILESCN1CCc2cc(CNCCCOCC3CC3)ccc21
InChIInChI=1S/C17H26N2O/c1-19-9-7-16-11-15(5-6-17(16)19)12-18-8-2-10-20-13-14-3-4-14/h5-6,11,14,18H,2-4,7-10,12-13H2,1H3
InChIKeyYBKIGWVLVBLNPL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds8

About 3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine

3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine (PubChem CID 62097378) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine
PubChem CID62097378
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine
SMILESCN1CCc2cc(CNCCCOCC3CC3)ccc21
InChIInChI=1S/C17H26N2O/c1-19-9-7-16-11-15(5-6-17(16)19)12-18-8-2-10-20-13-14-3-4-14/h5-6,11,14,18H,2-4,7-10,12-13H2,1H3
InChIKeyYBKIGWVLVBLNPL-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104922982
2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 103854347
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43233318
4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125778
N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine
CID 62094966
2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine
CID 62097200
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 62070317
3-(cyclopropylmethoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66407185
1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine
CID 103838354

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine (CID 62097378) is 3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine is CN1CCc2cc(CNCCCOCC3CC3)ccc21.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine?
The InChIKey is YBKIGWVLVBLNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19-9-7-16-11-15(5-6-17(16)19)12-18-8-2-10-20-13-14-3-4-14/h5-6,11,14,18H,2-4,7-10,12-13H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine?
3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 62097378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).