N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine

C14H26N2 — CID 130217424

IUPACN-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine
SMILESCCCC(CCC)NCCC1=CC(C)=NC1
InChIInChI=1S/C14H26N2/c1-4-6-14(7-5-2)15-9-8-13-10-12(3)16-11-13/h10,14-15H,4-9,11H2,1-3H3
InChIKeyRWAPBISLNGJAHV-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.34
Rot. Bonds8

About N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine

N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine (PubChem CID 130217424) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine
PubChem CID130217424
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine
SMILESCCCC(CCC)NCCC1=CC(C)=NC1
InChIInChI=1S/C14H26N2/c1-4-6-14(7-5-2)15-9-8-13-10-12(3)16-11-13/h10,14-15H,4-9,11H2,1-3H3
InChIKeyRWAPBISLNGJAHV-UHFFFAOYSA-N
XLogP3.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine?
The IUPAC name of N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine (CID 130217424) is N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine.
What is the SMILES notation for N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine?
The canonical SMILES for N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine is CCCC(CCC)NCCC1=CC(C)=NC1.
What is the InChIKey of N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine?
The InChIKey is RWAPBISLNGJAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-6-14(7-5-2)15-9-8-13-10-12(3)16-11-13/h10,14-15H,4-9,11H2,1-3H3.
What are the key properties of N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine?
N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine has a molecular weight of 222.38 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine is sourced from PubChem (CID 130217424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).