N-(1-piperidin-1-ylethenyl)cyclohexa-1,5-dien-1-amine

C13H20N2 — CID 142556399

IUPACN-(1-piperidin-1-ylethenyl)cyclohexa-1,5-dien-1-amine
SMILESC=C(NC1=CCCC=C1)N1CCCCC1
InChIInChI=1S/C13H20N2/c1-12(15-10-6-3-7-11-15)14-13-8-4-2-5-9-13/h4,8-9,14H,1-3,5-7,10-11H2
InChIKeyINBOYKOHBQISHY-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.77
Rot. Bonds3

About N-(1-piperidin-1-ylethenyl)cyclohexa-1,5-dien-1-amine

N-(1-piperidin-1-ylethenyl)cyclohexa-1,5-dien-1-amine (PubChem CID 142556399) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-(1-piperidin-1-ylethenyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-(1-piperidin-1-ylethenyl)cyclohexa-1,5-dien-1-amine
PubChem CID142556399
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-(1-piperidin-1-ylethenyl)cyclohexa-1,5-dien-1-amine
SMILESC=C(NC1=CCCC=C1)N1CCCCC1
InChIInChI=1S/C13H20N2/c1-12(15-10-6-3-7-11-15)14-13-8-4-2-5-9-13/h4,8-9,14H,1-3,5-7,10-11H2
InChIKeyINBOYKOHBQISHY-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-1-ylethenyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-(1-piperidin-1-ylethenyl)cyclohexa-1,5-dien-1-amine (CID 142556399) is N-(1-piperidin-1-ylethenyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-(1-piperidin-1-ylethenyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-(1-piperidin-1-ylethenyl)cyclohexa-1,5-dien-1-amine is C=C(NC1=CCCC=C1)N1CCCCC1.
What is the InChIKey of N-(1-piperidin-1-ylethenyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is INBOYKOHBQISHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-12(15-10-6-3-7-11-15)14-13-8-4-2-5-9-13/h4,8-9,14H,1-3,5-7,10-11H2.
What are the key properties of N-(1-piperidin-1-ylethenyl)cyclohexa-1,5-dien-1-amine?
N-(1-piperidin-1-ylethenyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-1-ylethenyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 142556399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).