N-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine

C16H25N3 — CID 119027565

IUPACN-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine
SMILESCNCCCNCc1cn(C(C)C)c2ccccc12
InChIInChI=1S/C16H25N3/c1-13(2)19-12-14(11-18-10-6-9-17-3)15-7-4-5-8-16(15)19/h4-5,7-8,12-13,17-18H,6,9-11H2,1-3H3
InChIKeyQSBKFPONBILUOU-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.92
Rot. Bonds7

About N-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine

N-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine (PubChem CID 119027565) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine
PubChem CID119027565
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine
SMILESCNCCCNCc1cn(C(C)C)c2ccccc12
InChIInChI=1S/C16H25N3/c1-13(2)19-12-14(11-18-10-6-9-17-3)15-7-4-5-8-16(15)19/h4-5,7-8,12-13,17-18H,6,9-11H2,1-3H3
InChIKeyQSBKFPONBILUOU-UHFFFAOYSA-N
XLogP2.92
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.92
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

N-[(1-propan-2-ylindol-3-yl)methyl]octan-1-amine
CID 119027489
2-(4-methoxyphenyl)-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine
CID 124798455
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
CID 119027572
N-[(1-propan-2-ylindol-3-yl)methyl]prop-2-en-1-amine
CID 94074093
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1-propan-2-ylindol-3-yl)methyl]ethanamine
CID 125114208
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040437
N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 107234778
2-(1-propan-2-ylindol-3-yl)ethanamine
CID 5115445
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
CID 71825768

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine (CID 119027565) is N-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine is CNCCCNCc1cn(C(C)C)c2ccccc12.
What is the InChIKey of N-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine?
The InChIKey is QSBKFPONBILUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13(2)19-12-14(11-18-10-6-9-17-3)15-7-4-5-8-16(15)19/h4-5,7-8,12-13,17-18H,6,9-11H2,1-3H3.
What are the key properties of N-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine?
N-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine has a molecular weight of 259.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(1-propan-2-ylindol-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 119027565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).