N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine

C13H23N — CID 13212526

IUPACN-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)C(C)C1=CC=CC1
InChIInChI=1S/C13H23N/c1-10(2)14(11(3)4)12(5)13-8-6-7-9-13/h6-8,10-12H,9H2,1-5H3
InChIKeyJOKNYFRZKCZXOQ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.38
Rot. Bonds4

About N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine

N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 13212526) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
PubChem CID13212526
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)C(C)C1=CC=CC1
InChIInChI=1S/C13H23N/c1-10(2)14(11(3)4)12(5)13-8-6-7-9-13/h6-8,10-12H,9H2,1-5H3
InChIKeyJOKNYFRZKCZXOQ-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine (CID 13212526) is N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)C(C)C1=CC=CC1.
What is the InChIKey of N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is JOKNYFRZKCZXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-10(2)14(11(3)4)12(5)13-8-6-7-9-13/h6-8,10-12H,9H2,1-5H3.
What are the key properties of N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine?
N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 193.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 13212526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).