1-[(2-bromoprop-2-enylamino)methyl]cyclohexan-1-ol

C10H18BrNO — CID 65109384

IUPAC1-[(2-bromoprop-2-enylamino)methyl]cyclohexan-1-ol
SMILESC=C(Br)CNCC1(O)CCCCC1
InChIInChI=1S/C10H18BrNO/c1-9(11)7-12-8-10(13)5-3-2-4-6-10/h12-13H,1-8H2
InChIKeyAHVFUENXVJUKKK-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.18
Rot. Bonds4

About 1-[(2-bromoprop-2-enylamino)methyl]cyclohexan-1-ol

1-[(2-bromoprop-2-enylamino)methyl]cyclohexan-1-ol (PubChem CID 65109384) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 1-[(2-bromoprop-2-enylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-bromoprop-2-enylamino)methyl]cyclohexan-1-ol
PubChem CID65109384
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name1-[(2-bromoprop-2-enylamino)methyl]cyclohexan-1-ol
SMILESC=C(Br)CNCC1(O)CCCCC1
InChIInChI=1S/C10H18BrNO/c1-9(11)7-12-8-10(13)5-3-2-4-6-10/h12-13H,1-8H2
InChIKeyAHVFUENXVJUKKK-UHFFFAOYSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromoprop-2-enylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2-bromoprop-2-enylamino)methyl]cyclohexan-1-ol (CID 65109384) is 1-[(2-bromoprop-2-enylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-bromoprop-2-enylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2-bromoprop-2-enylamino)methyl]cyclohexan-1-ol is C=C(Br)CNCC1(O)CCCCC1.
What is the InChIKey of 1-[(2-bromoprop-2-enylamino)methyl]cyclohexan-1-ol?
The InChIKey is AHVFUENXVJUKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-9(11)7-12-8-10(13)5-3-2-4-6-10/h12-13H,1-8H2.
What are the key properties of 1-[(2-bromoprop-2-enylamino)methyl]cyclohexan-1-ol?
1-[(2-bromoprop-2-enylamino)methyl]cyclohexan-1-ol has a molecular weight of 248.16 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromoprop-2-enylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65109384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).