1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine

C15H23N3 — CID 115200498

IUPAC1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine
SMILESCN(CCC(C)(C)N)c1cn(C)c2ccccc12
InChIInChI=1S/C15H23N3/c1-15(2,16)9-10-17(3)14-11-18(4)13-8-6-5-7-12(13)14/h5-8,11H,9-10,16H2,1-4H3
InChIKeyZZGQUCCXTQKULS-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.74
Rot. Bonds4

About 1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine

1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine (PubChem CID 115200498) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine
PubChem CID115200498
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine
SMILESCN(CCC(C)(C)N)c1cn(C)c2ccccc12
InChIInChI=1S/C15H23N3/c1-15(2,16)9-10-17(3)14-11-18(4)13-8-6-5-7-12(13)14/h5-8,11H,9-10,16H2,1-4H3
InChIKeyZZGQUCCXTQKULS-UHFFFAOYSA-N
XLogP2.74
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine?
The IUPAC name of 1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine (CID 115200498) is 1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine is CN(CCC(C)(C)N)c1cn(C)c2ccccc12.
What is the InChIKey of 1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine?
The InChIKey is ZZGQUCCXTQKULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-15(2,16)9-10-17(3)14-11-18(4)13-8-6-5-7-12(13)14/h5-8,11H,9-10,16H2,1-4H3.
What are the key properties of 1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine?
1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine is sourced from PubChem (CID 115200498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).