N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine

C14H26N2O — CID 79097308

IUPACN,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine
SMILESCNC(c1ccn(CCOC(C)C)c1)C(C)C
InChIInChI=1S/C14H26N2O/c1-11(2)14(15-5)13-6-7-16(10-13)8-9-17-12(3)4/h6-7,10-12,14-15H,8-9H2,1-5H3
InChIKeyLGRJJKXIBHXTER-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.83
Rot. Bonds7

About N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine

N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine (PubChem CID 79097308) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine
PubChem CID79097308
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine
SMILESCNC(c1ccn(CCOC(C)C)c1)C(C)C
InChIInChI=1S/C14H26N2O/c1-11(2)14(15-5)13-6-7-16(10-13)8-9-17-12(3)4/h6-7,10-12,14-15H,8-9H2,1-5H3
InChIKeyLGRJJKXIBHXTER-UHFFFAOYSA-N
XLogP2.83
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine (CID 79097308) is N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine is CNC(c1ccn(CCOC(C)C)c1)C(C)C.
What is the InChIKey of N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is LGRJJKXIBHXTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)14(15-5)13-6-7-16(10-13)8-9-17-12(3)4/h6-7,10-12,14-15H,8-9H2,1-5H3.
What are the key properties of N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine?
N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79097308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).