3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine

C18H28N2O — CID 107236210

IUPAC3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine
SMILESCCCCOCCCNCc1c(C)c2ccccc2n1C
InChIInChI=1S/C18H28N2O/c1-4-5-12-21-13-8-11-19-14-18-15(2)16-9-6-7-10-17(16)20(18)3/h6-7,9-10,19H,4-5,8,11-14H2,1-3H3
InChIKeyCMNXFRDCTSREDY-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.78
Rot. Bonds9

About 3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine

3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine (PubChem CID 107236210) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine
PubChem CID107236210
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine
SMILESCCCCOCCCNCc1c(C)c2ccccc2n1C
InChIInChI=1S/C18H28N2O/c1-4-5-12-21-13-8-11-19-14-18-15(2)16-9-6-7-10-17(16)20(18)3/h6-7,9-10,19H,4-5,8,11-14H2,1-3H3
InChIKeyCMNXFRDCTSREDY-UHFFFAOYSA-N
XLogP3.78
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethyltryptamine
CID 6089
Tetrahydro-beta-carboline
CID 107838
Iprindole
CID 21722
N,N-Diethyltryptamine
CID 6090
Rimcazole
CID 53389
2-Methyl-1,2,3,4-tetrahydro-beta-carboline
CID 121896
1-Methyl-1H-indole-3-ethylamine
CID 23492
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
CID 4722579
Rimcazole dihydrochloride
CID 53388
N,N-Dipropyltryptamine
CID 6091
3-(Morpholinomethyl)indole
CID 21477
N,N-Dimethylhomotryptamine
CID 52549

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine (CID 107236210) is 3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine is CCCCOCCCNCc1c(C)c2ccccc2n1C.
What is the InChIKey of 3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine?
The InChIKey is CMNXFRDCTSREDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-5-12-21-13-8-11-19-14-18-15(2)16-9-6-7-10-17(16)20(18)3/h6-7,9-10,19H,4-5,8,11-14H2,1-3H3.
What are the key properties of 3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine?
3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 107236210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).