N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine

C16H25N3 — CID 119027572

IUPACN-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
SMILESCCCn1cc(CNCCCNC)c2ccccc21
InChIInChI=1S/C16H25N3/c1-3-11-19-13-14(12-18-10-6-9-17-2)15-7-4-5-8-16(15)19/h4-5,7-8,13,17-18H,3,6,9-12H2,1-2H3
InChIKeyDOLPUFSOQQINSZ-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.75
Rot. Bonds8

About N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine

N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine (PubChem CID 119027572) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
PubChem CID119027572
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
SMILESCCCn1cc(CNCCCNC)c2ccccc21
InChIInChI=1S/C16H25N3/c1-3-11-19-13-14(12-18-10-6-9-17-2)15-7-4-5-8-16(15)19/h4-5,7-8,13,17-18H,3,6,9-12H2,1-2H3
InChIKeyDOLPUFSOQQINSZ-UHFFFAOYSA-N
XLogP2.75
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine
CID 124804470
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
CID 71546960
N-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine
CID 119027565
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027513
N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine
CID 66408210
2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol
CID 79355094
1-(furan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 94074131
N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine
CID 17215780
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine (CID 119027572) is N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine is CCCn1cc(CNCCCNC)c2ccccc21.
What is the InChIKey of N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine?
The InChIKey is DOLPUFSOQQINSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-11-19-13-14(12-18-10-6-9-17-2)15-7-4-5-8-16(15)19/h4-5,7-8,13,17-18H,3,6,9-12H2,1-2H3.
What are the key properties of N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine?
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine has a molecular weight of 259.40 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 119027572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).