N-heptan-3-ylpyrrol-1-amine

C11H20N2 — CID 79090889

IUPACN-heptan-3-ylpyrrol-1-amine
SMILESCCCCC(CC)Nn1cccc1
InChIInChI=1S/C11H20N2/c1-3-5-8-11(4-2)12-13-9-6-7-10-13/h6-7,9-12H,3-5,8H2,1-2H3
InChIKeyJAFAGBPDNGVYRO-UHFFFAOYSA-N
MW180.30 g/mol
LogP3.00
Rot. Bonds6

About N-heptan-3-ylpyrrol-1-amine

N-heptan-3-ylpyrrol-1-amine (PubChem CID 79090889) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N-heptan-3-ylpyrrol-1-amine.

Molecular Properties

Compound NameN-heptan-3-ylpyrrol-1-amine
PubChem CID79090889
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN-heptan-3-ylpyrrol-1-amine
SMILESCCCCC(CC)Nn1cccc1
InChIInChI=1S/C11H20N2/c1-3-5-8-11(4-2)12-13-9-6-7-10-13/h6-7,9-12H,3-5,8H2,1-2H3
InChIKeyJAFAGBPDNGVYRO-UHFFFAOYSA-N
XLogP3.00
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-heptan-3-ylpyrrol-1-amine?
The IUPAC name of N-heptan-3-ylpyrrol-1-amine (CID 79090889) is N-heptan-3-ylpyrrol-1-amine.
What is the SMILES notation for N-heptan-3-ylpyrrol-1-amine?
The canonical SMILES for N-heptan-3-ylpyrrol-1-amine is CCCCC(CC)Nn1cccc1.
What is the InChIKey of N-heptan-3-ylpyrrol-1-amine?
The InChIKey is JAFAGBPDNGVYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-8-11(4-2)12-13-9-6-7-10-13/h6-7,9-12H,3-5,8H2,1-2H3.
What are the key properties of N-heptan-3-ylpyrrol-1-amine?
N-heptan-3-ylpyrrol-1-amine has a molecular weight of 180.30 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-ylpyrrol-1-amine is sourced from PubChem (CID 79090889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).