1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one

C16H29NO — CID 170057858

IUPAC1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one
SMILESC=CCN(CC(C)=O)C1CCCCC1CCCC
InChIInChI=1S/C16H29NO/c1-4-6-9-15-10-7-8-11-16(15)17(12-5-2)13-14(3)18/h5,15-16H,2,4,6-13H2,1,3H3
InChIKeyKVEVFRXUFFLFNX-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.81
Rot. Bonds8

About 1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one

1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one (PubChem CID 170057858) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one.

Molecular Properties

Compound Name1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one
PubChem CID170057858
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one
SMILESC=CCN(CC(C)=O)C1CCCCC1CCCC
InChIInChI=1S/C16H29NO/c1-4-6-9-15-10-7-8-11-16(15)17(12-5-2)13-14(3)18/h5,15-16H,2,4,6-13H2,1,3H3
InChIKeyKVEVFRXUFFLFNX-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
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 1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one?
The IUPAC name of 1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one (CID 170057858) is 1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one.
What is the SMILES notation for 1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one?
The canonical SMILES for 1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one is C=CCN(CC(C)=O)C1CCCCC1CCCC.
What is the InChIKey of 1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one?
The InChIKey is KVEVFRXUFFLFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-6-9-15-10-7-8-11-16(15)17(12-5-2)13-14(3)18/h5,15-16H,2,4,6-13H2,1,3H3.
What are the key properties of 1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one?
1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one has a molecular weight of 251.41 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one is sourced from PubChem (CID 170057858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).