2-but-1-enylcyclohexen-1-amine

C10H17N — CID 67050774

IUPAC2-but-1-enylcyclohexen-1-amine
SMILESCCC=CC1=C(N)CCCC1
InChIInChI=1S/C10H17N/c1-2-3-6-9-7-4-5-8-10(9)11/h3,6H,2,4-5,7-8,11H2,1H3
InChIKeyYQWUFNYPMVFFGK-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.74
Rot. Bonds2

About 2-but-1-enylcyclohexen-1-amine

2-but-1-enylcyclohexen-1-amine (PubChem CID 67050774) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-but-1-enylcyclohexen-1-amine.

Molecular Properties

Compound Name2-but-1-enylcyclohexen-1-amine
PubChem CID67050774
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-but-1-enylcyclohexen-1-amine
SMILESCCC=CC1=C(N)CCCC1
InChIInChI=1S/C10H17N/c1-2-3-6-9-7-4-5-8-10(9)11/h3,6H,2,4-5,7-8,11H2,1H3
InChIKeyYQWUFNYPMVFFGK-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-enylcyclohexen-1-amine?
The IUPAC name of 2-but-1-enylcyclohexen-1-amine (CID 67050774) is 2-but-1-enylcyclohexen-1-amine.
What is the SMILES notation for 2-but-1-enylcyclohexen-1-amine?
The canonical SMILES for 2-but-1-enylcyclohexen-1-amine is CCC=CC1=C(N)CCCC1.
What is the InChIKey of 2-but-1-enylcyclohexen-1-amine?
The InChIKey is YQWUFNYPMVFFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-6-9-7-4-5-8-10(9)11/h3,6H,2,4-5,7-8,11H2,1H3.
What are the key properties of 2-but-1-enylcyclohexen-1-amine?
2-but-1-enylcyclohexen-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enylcyclohexen-1-amine is sourced from PubChem (CID 67050774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).