2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine

C15H29N3 — CID 112516291

IUPAC2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine
SMILESCc1cc(C(CCN)CN(C)C)c(C)n1C(C)C
InChIInChI=1S/C15H29N3/c1-11(2)18-12(3)9-15(13(18)4)14(7-8-16)10-17(5)6/h9,11,14H,7-8,10,16H2,1-6H3
InChIKeyOSLIPGNAHWRQAD-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.68
Rot. Bonds6

About 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine

2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine (PubChem CID 112516291) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine
PubChem CID112516291
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine
SMILESCc1cc(C(CCN)CN(C)C)c(C)n1C(C)C
InChIInChI=1S/C15H29N3/c1-11(2)18-12(3)9-15(13(18)4)14(7-8-16)10-17(5)6/h9,11,14H,7-8,10,16H2,1-6H3
InChIKeyOSLIPGNAHWRQAD-UHFFFAOYSA-N
XLogP2.68
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine?
The IUPAC name of 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine (CID 112516291) is 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine.
What is the SMILES notation for 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine?
The canonical SMILES for 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine is Cc1cc(C(CCN)CN(C)C)c(C)n1C(C)C.
What is the InChIKey of 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine?
The InChIKey is OSLIPGNAHWRQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-11(2)18-12(3)9-15(13(18)4)14(7-8-16)10-17(5)6/h9,11,14H,7-8,10,16H2,1-6H3.
What are the key properties of 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine?
2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine has a molecular weight of 251.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine is sourced from PubChem (CID 112516291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).