N-propylcyclopenta-1,3-dien-1-amine

C8H13N — CID 67050853

IUPACN-propylcyclopenta-1,3-dien-1-amine
SMILESCCCNC1=CC=CC1
InChIInChI=1S/C8H13N/c1-2-7-9-8-5-3-4-6-8/h3-5,9H,2,6-7H2,1H3
InChIKeyOHBYXGXXTKNFFM-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.83
Rot. Bonds3

About N-propylcyclopenta-1,3-dien-1-amine

N-propylcyclopenta-1,3-dien-1-amine (PubChem CID 67050853) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-propylcyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound NameN-propylcyclopenta-1,3-dien-1-amine
PubChem CID67050853
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-propylcyclopenta-1,3-dien-1-amine
SMILESCCCNC1=CC=CC1
InChIInChI=1S/C8H13N/c1-2-7-9-8-5-3-4-6-8/h3-5,9H,2,6-7H2,1H3
InChIKeyOHBYXGXXTKNFFM-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propylcyclopenta-1,3-dien-1-amine?
The IUPAC name of N-propylcyclopenta-1,3-dien-1-amine (CID 67050853) is N-propylcyclopenta-1,3-dien-1-amine.
What is the SMILES notation for N-propylcyclopenta-1,3-dien-1-amine?
The canonical SMILES for N-propylcyclopenta-1,3-dien-1-amine is CCCNC1=CC=CC1.
What is the InChIKey of N-propylcyclopenta-1,3-dien-1-amine?
The InChIKey is OHBYXGXXTKNFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-7-9-8-5-3-4-6-8/h3-5,9H,2,6-7H2,1H3.
What are the key properties of N-propylcyclopenta-1,3-dien-1-amine?
N-propylcyclopenta-1,3-dien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylcyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 67050853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).