2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol

C16H27NO — CID 70135090

IUPAC2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=CCN(CC=C)CC1CC(C(=C)C)CCC1O
InChIInChI=1S/C16H27NO/c1-5-9-17(10-6-2)12-15-11-14(13(3)4)7-8-16(15)18/h5-6,14-16,18H,1-3,7-12H2,4H3
InChIKeyYXTWUZGZDMOZKH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.01
Rot. Bonds7

About 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol

2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 70135090) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID70135090
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=CCN(CC=C)CC1CC(C(=C)C)CCC1O
InChIInChI=1S/C16H27NO/c1-5-9-17(10-6-2)12-15-11-14(13(3)4)7-8-16(15)18/h5-6,14-16,18H,1-3,7-12H2,4H3
InChIKeyYXTWUZGZDMOZKH-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
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 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol (CID 70135090) is 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol is C=CCN(CC=C)CC1CC(C(=C)C)CCC1O.
What is the InChIKey of 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is YXTWUZGZDMOZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-9-17(10-6-2)12-15-11-14(13(3)4)7-8-16(15)18/h5-6,14-16,18H,1-3,7-12H2,4H3.
What are the key properties of 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol?
2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(prop-2-enyl)amino]methyl]-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 70135090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).