3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine

C16H30N2 — CID 170409744

IUPAC3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine
SMILESCCCN(CCC)CCC(C)C1=C(C)N=C(C)C1
InChIInChI=1S/C16H30N2/c1-6-9-18(10-7-2)11-8-13(3)16-12-14(4)17-15(16)5/h13H,6-12H2,1-5H3
InChIKeyVQJGIFBKEJBHEI-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.27
Rot. Bonds8

About 3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine

3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine (PubChem CID 170409744) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine
PubChem CID170409744
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine
SMILESCCCN(CCC)CCC(C)C1=C(C)N=C(C)C1
InChIInChI=1S/C16H30N2/c1-6-9-18(10-7-2)11-8-13(3)16-12-14(4)17-15(16)5/h13H,6-12H2,1-5H3
InChIKeyVQJGIFBKEJBHEI-UHFFFAOYSA-N
XLogP4.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine?
The IUPAC name of 3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine (CID 170409744) is 3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine.
What is the SMILES notation for 3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine?
The canonical SMILES for 3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine is CCCN(CCC)CCC(C)C1=C(C)N=C(C)C1.
What is the InChIKey of 3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine?
The InChIKey is VQJGIFBKEJBHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-6-9-18(10-7-2)11-8-13(3)16-12-14(4)17-15(16)5/h13H,6-12H2,1-5H3.
What are the key properties of 3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine?
3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine is sourced from PubChem (CID 170409744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).