N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine

C17H24N2O — CID 106930226

IUPACN-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc2ccn(COCC3CC3)c2c1
InChIInChI=1S/C17H24N2O/c1-2-8-18-11-15-5-6-16-7-9-19(17(16)10-15)13-20-12-14-3-4-14/h5-7,9-10,14,18H,2-4,8,11-13H2,1H3
InChIKeyZFGCYYUXHOEMMZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.53
Rot. Bonds8

About N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine

N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine (PubChem CID 106930226) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine
PubChem CID106930226
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc2ccn(COCC3CC3)c2c1
InChIInChI=1S/C17H24N2O/c1-2-8-18-11-15-5-6-16-7-9-19(17(16)10-15)13-20-12-14-3-4-14/h5-7,9-10,14,18H,2-4,8,11-13H2,1H3
InChIKeyZFGCYYUXHOEMMZ-UHFFFAOYSA-N
XLogP3.53
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine
CID 102916765
N-[[1-[(1-methylimidazol-2-yl)methyl]indol-6-yl]methyl]propan-1-amine
CID 102916816
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine
CID 102916807
2-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(propylaminomethyl)aniline
CID 81144926
N-[[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methyl]propan-1-amine
CID 106931170
N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine
CID 106205738
N-cyclopropyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916690
N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916722
N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63320061
[1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol
CID 131933824
N-[[4-(cyclopropylmethoxymethoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
CID 106929103
2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine
CID 79185867

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine (CID 106930226) is N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine is CCCNCc1ccc2ccn(COCC3CC3)c2c1.
What is the InChIKey of N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine?
The InChIKey is ZFGCYYUXHOEMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-8-18-11-15-5-6-16-7-9-19(17(16)10-15)13-20-12-14-3-4-14/h5-7,9-10,14,18H,2-4,8,11-13H2,1H3.
What are the key properties of N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine?
N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine is sourced from PubChem (CID 106930226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).