4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine

C17H27N3O — CID 103387611

IUPAC4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NCCCn1ccc2ccccc21
InChIInChI=1S/C17H27N3O/c1-21-14-16(7-4-10-18)19-11-5-12-20-13-9-15-6-2-3-8-17(15)20/h2-3,6,8-9,13,16,19H,4-5,7,10-12,14,18H2,1H3
InChIKeyBDGCKPQWIHVQSB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.37
Rot. Bonds10

About 4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine

4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine (PubChem CID 103387611) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine
PubChem CID103387611
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NCCCn1ccc2ccccc21
InChIInChI=1S/C17H27N3O/c1-21-14-16(7-4-10-18)19-11-5-12-20-13-9-15-6-2-3-8-17(15)20/h2-3,6,8-9,13,16,19H,4-5,7,10-12,14,18H2,1H3
InChIKeyBDGCKPQWIHVQSB-UHFFFAOYSA-N
XLogP2.37
TPSA52.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine
CID 62534294
3-indol-1-ylpropan-1-amine
CID 2512786
N-(3-indol-1-ylpropyl)pentan-2-amine
CID 43101059
1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine
CID 102868118
1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 110941078
5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 103387010
5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
CID 103390731
1-(3-fluoropropyl)indole
CID 81113690
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine
CID 103390928
4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine
CID 103387634
N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 18120698

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine (CID 103387611) is 4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine is COCC(CCCN)NCCCn1ccc2ccccc21.
What is the InChIKey of 4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine?
The InChIKey is BDGCKPQWIHVQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-21-14-16(7-4-10-18)19-11-5-12-20-13-9-15-6-2-3-8-17(15)20/h2-3,6,8-9,13,16,19H,4-5,7,10-12,14,18H2,1H3.
What are the key properties of 4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine?
4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine has a molecular weight of 289.42 g/mol, XLogP of 2.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103387611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).