1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine

C15H23N3 — CID 115203715

IUPAC1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine
SMILESCC(N)CCCN(C)c1cn(C)c2ccccc12
InChIInChI=1S/C15H23N3/c1-12(16)7-6-10-17(2)15-11-18(3)14-9-5-4-8-13(14)15/h4-5,8-9,11-12H,6-7,10,16H2,1-3H3
InChIKeyCYVOEVJYAOWYCJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.74
Rot. Bonds5

About 1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine

1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine (PubChem CID 115203715) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine
PubChem CID115203715
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine
SMILESCC(N)CCCN(C)c1cn(C)c2ccccc12
InChIInChI=1S/C15H23N3/c1-12(16)7-6-10-17(2)15-11-18(3)14-9-5-4-8-13(14)15/h4-5,8-9,11-12H,6-7,10,16H2,1-3H3
InChIKeyCYVOEVJYAOWYCJ-UHFFFAOYSA-N
XLogP2.74
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine?
The IUPAC name of 1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine (CID 115203715) is 1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine is CC(N)CCCN(C)c1cn(C)c2ccccc12.
What is the InChIKey of 1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine?
The InChIKey is CYVOEVJYAOWYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(16)7-6-10-17(2)15-11-18(3)14-9-5-4-8-13(14)15/h4-5,8-9,11-12H,6-7,10,16H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine?
1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine is sourced from PubChem (CID 115203715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).