3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine

C18H27NO — CID 170866549

IUPAC3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc2c(cc1OCC1CC1)CCC2
InChIInChI=1S/C18H27NO/c1-19(2)10-4-7-17-11-15-5-3-6-16(15)12-18(17)20-13-14-8-9-14/h11-12,14H,3-10,13H2,1-2H3
InChIKeyBFUDKCSFCAIIEG-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.46
Rot. Bonds7

About 3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine

3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine (PubChem CID 170866549) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine
PubChem CID170866549
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc2c(cc1OCC1CC1)CCC2
InChIInChI=1S/C18H27NO/c1-19(2)10-4-7-17-11-15-5-3-6-16(15)12-18(17)20-13-14-8-9-14/h11-12,14H,3-10,13H2,1-2H3
InChIKeyBFUDKCSFCAIIEG-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]propanoic acid
CID 170880171
2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 170888274
3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine
CID 170865622
3-(6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294969
N-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 144986914
4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine
CID 117408754
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 117340504
2-(2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanamine
CID 117043734
3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
CID 170865623
3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866480
1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137338112
N-[4-(cyclopropylmethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 155314010

Frequently Asked Questions

What is the IUPAC name of 3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine (CID 170866549) is 3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1cc2c(cc1OCC1CC1)CCC2.
What is the InChIKey of 3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is BFUDKCSFCAIIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-19(2)10-4-7-17-11-15-5-3-6-16(15)12-18(17)20-13-14-8-9-14/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine?
3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-5-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).