N,4-ditert-butylcyclopenta-1,3-dien-1-amine

C13H23N — CID 90181151

IUPACN,4-ditert-butylcyclopenta-1,3-dien-1-amine
SMILESCC(C)(C)NC1=CC=C(C(C)(C)C)C1
InChIInChI=1S/C13H23N/c1-12(2,3)10-7-8-11(9-10)14-13(4,5)6/h7-8,14H,9H2,1-6H3
InChIKeyYAVCDIFSJMJCJI-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.63
Rot. Bonds1

About N,4-ditert-butylcyclopenta-1,3-dien-1-amine

N,4-ditert-butylcyclopenta-1,3-dien-1-amine (PubChem CID 90181151) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N,4-ditert-butylcyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound NameN,4-ditert-butylcyclopenta-1,3-dien-1-amine
PubChem CID90181151
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN,4-ditert-butylcyclopenta-1,3-dien-1-amine
SMILESCC(C)(C)NC1=CC=C(C(C)(C)C)C1
InChIInChI=1S/C13H23N/c1-12(2,3)10-7-8-11(9-10)14-13(4,5)6/h7-8,14H,9H2,1-6H3
InChIKeyYAVCDIFSJMJCJI-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,4-ditert-butylcyclopenta-1,3-dien-1-amine?
The IUPAC name of N,4-ditert-butylcyclopenta-1,3-dien-1-amine (CID 90181151) is N,4-ditert-butylcyclopenta-1,3-dien-1-amine.
What is the SMILES notation for N,4-ditert-butylcyclopenta-1,3-dien-1-amine?
The canonical SMILES for N,4-ditert-butylcyclopenta-1,3-dien-1-amine is CC(C)(C)NC1=CC=C(C(C)(C)C)C1.
What is the InChIKey of N,4-ditert-butylcyclopenta-1,3-dien-1-amine?
The InChIKey is YAVCDIFSJMJCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-12(2,3)10-7-8-11(9-10)14-13(4,5)6/h7-8,14H,9H2,1-6H3.
What are the key properties of N,4-ditert-butylcyclopenta-1,3-dien-1-amine?
N,4-ditert-butylcyclopenta-1,3-dien-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-ditert-butylcyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 90181151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).