N-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine

C18H34N2 — CID 170408418

IUPACN-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCN(CCC(C)C1=C(C)N=C(C)C1)CC(C)(C)C
InChIInChI=1S/C18H34N2/c1-8-10-20(13-18(5,6)7)11-9-14(2)17-12-15(3)19-16(17)4/h14H,8-13H2,1-7H3
InChIKeyMIIGBWLLPOYMMZ-UHFFFAOYSA-N
MW278.48 g/mol
LogP4.91
Rot. Bonds7

About N-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine

N-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 170408418) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID170408418
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCN(CCC(C)C1=C(C)N=C(C)C1)CC(C)(C)C
InChIInChI=1S/C18H34N2/c1-8-10-20(13-18(5,6)7)11-9-14(2)17-12-15(3)19-16(17)4/h14H,8-13H2,1-7H3
InChIKeyMIIGBWLLPOYMMZ-UHFFFAOYSA-N
XLogP4.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of N-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine (CID 170408418) is N-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for N-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for N-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine is CCCN(CCC(C)C1=C(C)N=C(C)C1)CC(C)(C)C.
What is the InChIKey of N-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is MIIGBWLLPOYMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-8-10-20(13-18(5,6)7)11-9-14(2)17-12-15(3)19-16(17)4/h14H,8-13H2,1-7H3.
What are the key properties of N-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine?
N-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 170408418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).