cyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol

C19H35NO — CID 144603163

IUPACcyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol
SMILESC1CCCC1.C=CNC(C)c1ccc(O)cc1.CC.CC
InChIInChI=1S/C10H13NO.C5H10.2C2H6/c1-3-11-8(2)9-4-6-10(12)7-5-9;1-2-4-5-3-1;2*1-2/h3-8,11-12H,1H2,2H3;1-5H2;2*1-2H3
InChIKeyAFEIZSSLAHKQRL-UHFFFAOYSA-N
MW293.50 g/mol
LogP6.19
Rot. Bonds3

About cyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol

cyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol (PubChem CID 144603163) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is cyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol.

Molecular Properties

Compound Namecyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol
PubChem CID144603163
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Namecyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol
SMILESC1CCCC1.C=CNC(C)c1ccc(O)cc1.CC.CC
InChIInChI=1S/C10H13NO.C5H10.2C2H6/c1-3-11-8(2)9-4-6-10(12)7-5-9;1-2-4-5-3-1;2*1-2/h3-8,11-12H,1H2,2H3;1-5H2;2*1-2H3
InChIKeyAFEIZSSLAHKQRL-UHFFFAOYSA-N
XLogP6.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol?
The IUPAC name of cyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol (CID 144603163) is cyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol.
What is the SMILES notation for cyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol?
The canonical SMILES for cyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol is C1CCCC1.C=CNC(C)c1ccc(O)cc1.CC.CC.
What is the InChIKey of cyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol?
The InChIKey is AFEIZSSLAHKQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C5H10.2C2H6/c1-3-11-8(2)9-4-6-10(12)7-5-9;1-2-4-5-3-1;2*1-2/h3-8,11-12H,1H2,2H3;1-5H2;2*1-2H3.
What are the key properties of cyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol?
cyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol has a molecular weight of 293.50 g/mol, XLogP of 6.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;ethane;4-[1-(ethenylamino)ethyl]phenol is sourced from PubChem (CID 144603163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).