1-amino-3-[(3-ethenyl-4-ethylcyclopent-3-en-1-yl)amino]propan-2-ol;ethane

C14H28N2O — CID 145027155

IUPAC1-amino-3-[(3-ethenyl-4-ethylcyclopent-3-en-1-yl)amino]propan-2-ol;ethane
SMILESC=CC1=C(CC)CC(NCC(O)CN)C1.CC
InChIInChI=1S/C12H22N2O.C2H6/c1-3-9-5-11(6-10(9)4-2)14-8-12(15)7-13;1-2/h3,11-12,14-15H,1,4-8,13H2,2H3;1-2H3
InChIKeyVNIAKZAWWVAFQC-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.98
Rot. Bonds6

About 1-amino-3-[(3-ethenyl-4-ethylcyclopent-3-en-1-yl)amino]propan-2-ol;ethane

1-amino-3-[(3-ethenyl-4-ethylcyclopent-3-en-1-yl)amino]propan-2-ol;ethane (PubChem CID 145027155) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-amino-3-[(3-ethenyl-4-ethylcyclopent-3-en-1-yl)amino]propan-2-ol;ethane.

Molecular Properties

Compound Name1-amino-3-[(3-ethenyl-4-ethylcyclopent-3-en-1-yl)amino]propan-2-ol;ethane
PubChem CID145027155
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-amino-3-[(3-ethenyl-4-ethylcyclopent-3-en-1-yl)amino]propan-2-ol;ethane
SMILESC=CC1=C(CC)CC(NCC(O)CN)C1.CC
InChIInChI=1S/C12H22N2O.C2H6/c1-3-9-5-11(6-10(9)4-2)14-8-12(15)7-13;1-2/h3,11-12,14-15H,1,4-8,13H2,2H3;1-2H3
InChIKeyVNIAKZAWWVAFQC-UHFFFAOYSA-N
XLogP1.98
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(3-ethenyl-4-ethylcyclopent-3-en-1-yl)amino]propan-2-ol;ethane?
The IUPAC name of 1-amino-3-[(3-ethenyl-4-ethylcyclopent-3-en-1-yl)amino]propan-2-ol;ethane (CID 145027155) is 1-amino-3-[(3-ethenyl-4-ethylcyclopent-3-en-1-yl)amino]propan-2-ol;ethane.
What is the SMILES notation for 1-amino-3-[(3-ethenyl-4-ethylcyclopent-3-en-1-yl)amino]propan-2-ol;ethane?
The canonical SMILES for 1-amino-3-[(3-ethenyl-4-ethylcyclopent-3-en-1-yl)amino]propan-2-ol;ethane is C=CC1=C(CC)CC(NCC(O)CN)C1.CC.
What is the InChIKey of 1-amino-3-[(3-ethenyl-4-ethylcyclopent-3-en-1-yl)amino]propan-2-ol;ethane?
The InChIKey is VNIAKZAWWVAFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.C2H6/c1-3-9-5-11(6-10(9)4-2)14-8-12(15)7-13;1-2/h3,11-12,14-15H,1,4-8,13H2,2H3;1-2H3.
What are the key properties of 1-amino-3-[(3-ethenyl-4-ethylcyclopent-3-en-1-yl)amino]propan-2-ol;ethane?
1-amino-3-[(3-ethenyl-4-ethylcyclopent-3-en-1-yl)amino]propan-2-ol;ethane has a molecular weight of 240.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(3-ethenyl-4-ethylcyclopent-3-en-1-yl)amino]propan-2-ol;ethane is sourced from PubChem (CID 145027155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).