3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol

C16H25NO — CID 70371914

IUPAC3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol
SMILESC=CCC1(CC=C)C(N)C(CC=C)(CC=C)C1O
InChIInChI=1S/C16H25NO/c1-5-9-15(10-6-2)13(17)16(11-7-3,12-8-4)14(15)18/h5-8,13-14,18H,1-4,9-12,17H2
InChIKeyKQOXBHIPFPTLQN-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.97
Rot. Bonds8

About 3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol

3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol (PubChem CID 70371914) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol
PubChem CID70371914
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol
SMILESC=CCC1(CC=C)C(N)C(CC=C)(CC=C)C1O
InChIInChI=1S/C16H25NO/c1-5-9-15(10-6-2)13(17)16(11-7-3,12-8-4)14(15)18/h5-8,13-14,18H,1-4,9-12,17H2
InChIKeyKQOXBHIPFPTLQN-UHFFFAOYSA-N
XLogP2.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol?
The IUPAC name of 3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol (CID 70371914) is 3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol is C=CCC1(CC=C)C(N)C(CC=C)(CC=C)C1O.
What is the InChIKey of 3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol?
The InChIKey is KQOXBHIPFPTLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-9-15(10-6-2)13(17)16(11-7-3,12-8-4)14(15)18/h5-8,13-14,18H,1-4,9-12,17H2.
What are the key properties of 3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol?
3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol is sourced from PubChem (CID 70371914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).