N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine

C24H41N3 — CID 71546959

IUPACN-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine
SMILESCCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
InChIInChI=1S/C24H41N3/c1-4-5-6-7-8-9-10-13-17-25-20-22-21-27(19-14-18-26(2)3)24-16-12-11-15-23(22)24/h11-12,15-16,21,25H,4-10,13-14,17-20H2,1-3H3
InChIKeyZXKCYZJGHXORKJ-UHFFFAOYSA-N
MW371.61 g/mol
LogP5.82
Rot. Bonds15

About N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine

N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine (PubChem CID 71546959) has the molecular formula C24H41N3 and a molecular weight of 371.61 g/mol. Its IUPAC name is N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine.

Molecular Properties

Compound NameN-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine
PubChem CID71546959
Molecular FormulaC24H41N3
Molecular Weight371.61 g/mol
Exact Mass371.33
IUPAC NameN-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine
SMILESCCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
InChIInChI=1S/C24H41N3/c1-4-5-6-7-8-9-10-13-17-25-20-22-21-27(19-14-18-26(2)3)24-16-12-11-15-23(22)24/h11-12,15-16,21,25H,4-10,13-14,17-20H2,1-3H3
InChIKeyZXKCYZJGHXORKJ-UHFFFAOYSA-N
XLogP5.82
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 55.82
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine?
The IUPAC name of N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine (CID 71546959) is N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine.
What is the SMILES notation for N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine?
The canonical SMILES for N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine is CCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12.
What is the InChIKey of N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine?
The InChIKey is ZXKCYZJGHXORKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3/c1-4-5-6-7-8-9-10-13-17-25-20-22-21-27(19-14-18-26(2)3)24-16-12-11-15-23(22)24/h11-12,15-16,21,25H,4-10,13-14,17-20H2,1-3H3.
What are the key properties of N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine?
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine has a molecular weight of 371.61 g/mol, XLogP of 5.82, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine is sourced from PubChem (CID 71546959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).