1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine

C14H21N3 — CID 113407270

IUPAC1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine
SMILESCCNCC(C)NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H21N3/c1-3-15-9-11(2)17-10-12-4-5-13-6-7-16-14(13)8-12/h4-8,11,15-17H,3,9-10H2,1-2H3
InChIKeyPPSIDPQATCTCGE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.26
Rot. Bonds6

About 1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine

1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine (PubChem CID 113407270) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine
PubChem CID113407270
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine
SMILESCCNCC(C)NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H21N3/c1-3-15-9-11(2)17-10-12-4-5-13-6-7-16-14(13)8-12/h4-8,11,15-17H,3,9-10H2,1-2H3
InChIKeyPPSIDPQATCTCGE-UHFFFAOYSA-N
XLogP2.26
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine (CID 113407270) is 1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine is CCNCC(C)NCc1ccc2cc[nH]c2c1.
What is the InChIKey of 1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine?
The InChIKey is PPSIDPQATCTCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-15-9-11(2)17-10-12-4-5-13-6-7-16-14(13)8-12/h4-8,11,15-17H,3,9-10H2,1-2H3.
What are the key properties of 1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine?
1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 113407270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).