[1-[[bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol

C14H25NO — CID 62272035

IUPAC[1-[[bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol
SMILESC=CCN(CC=C)CC1(CO)CCCCC1
InChIInChI=1S/C14H25NO/c1-3-10-15(11-4-2)12-14(13-16)8-6-5-7-9-14/h3-4,16H,1-2,5-13H2
InChIKeyBHQCZZCJRNIEBC-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.60
Rot. Bonds7

About [1-[[bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol

[1-[[bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol (PubChem CID 62272035) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is [1-[[bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol
PubChem CID62272035
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name[1-[[bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol
SMILESC=CCN(CC=C)CC1(CO)CCCCC1
InChIInChI=1S/C14H25NO/c1-3-10-15(11-4-2)12-14(13-16)8-6-5-7-9-14/h3-4,16H,1-2,5-13H2
InChIKeyBHQCZZCJRNIEBC-UHFFFAOYSA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.60
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 [1-[[bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol (CID 62272035) is [1-[[bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol is C=CCN(CC=C)CC1(CO)CCCCC1.
What is the InChIKey of [1-[[bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol?
The InChIKey is BHQCZZCJRNIEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-10-15(11-4-2)12-14(13-16)8-6-5-7-9-14/h3-4,16H,1-2,5-13H2.
What are the key properties of [1-[[bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol?
[1-[[bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol has a molecular weight of 223.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[bis(prop-2-enyl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 62272035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).