1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine

C14H21N3 — CID 54056751

IUPAC1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCCC(N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H21N3/c1-17(2)9-3-4-13(15)12-6-5-11-7-8-16-14(11)10-12/h5-8,10,13,16H,3-4,9,15H2,1-2H3
InChIKeyMPVJVAHPNYRAQR-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.51
Rot. Bonds5

About 1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine

1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine (PubChem CID 54056751) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine
PubChem CID54056751
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCCC(N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H21N3/c1-17(2)9-3-4-13(15)12-6-5-11-7-8-16-14(11)10-12/h5-8,10,13,16H,3-4,9,15H2,1-2H3
InChIKeyMPVJVAHPNYRAQR-UHFFFAOYSA-N
XLogP2.51
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine (CID 54056751) is 1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine is CN(C)CCCC(N)c1ccc2cc[nH]c2c1.
What is the InChIKey of 1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is MPVJVAHPNYRAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-17(2)9-3-4-13(15)12-6-5-11-7-8-16-14(11)10-12/h5-8,10,13,16H,3-4,9,15H2,1-2H3.
What are the key properties of 1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine?
1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-6-yl)-N',N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 54056751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).