[1-[(2-methylidenebutylamino)methyl]cyclohexyl]methanol

C13H25NO — CID 103966428

IUPAC[1-[(2-methylidenebutylamino)methyl]cyclohexyl]methanol
SMILESC=C(CC)CNCC1(CO)CCCCC1
InChIInChI=1S/C13H25NO/c1-3-12(2)9-14-10-13(11-15)7-5-4-6-8-13/h14-15H,2-11H2,1H3
InChIKeyVVMNZJOIMFVRLX-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds6

About [1-[(2-methylidenebutylamino)methyl]cyclohexyl]methanol

[1-[(2-methylidenebutylamino)methyl]cyclohexyl]methanol (PubChem CID 103966428) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [1-[(2-methylidenebutylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-methylidenebutylamino)methyl]cyclohexyl]methanol
PubChem CID103966428
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[1-[(2-methylidenebutylamino)methyl]cyclohexyl]methanol
SMILESC=C(CC)CNCC1(CO)CCCCC1
InChIInChI=1S/C13H25NO/c1-3-12(2)9-14-10-13(11-15)7-5-4-6-8-13/h14-15H,2-11H2,1H3
InChIKeyVVMNZJOIMFVRLX-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(Methylaminomethyl)cyclohexyl]methanol
CID 54262721
[(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol
CID 10987615
2-[(2-Methylidenebutylamino)methyl]cyclohexan-1-ol
CID 66044517
[1-(2-Methylidenebutylamino)cyclohexyl]methanol
CID 66045941
[1-[(2,2-Dimethylpropylamino)methyl]cyclohexyl]methanol
CID 79973974
[1-(Propylaminomethyl)cyclohexyl]methanol
CID 81411479
[1-(Ethylaminomethyl)cyclohexyl]methanol
CID 81411780
[1-[(Pentylamino)methyl]cyclohexyl]methanol
CID 81411787
[1-(Butylaminomethyl)cyclohexyl]methanol
CID 81411792
[1-[(Prop-2-enylamino)methyl]cyclohexyl]methanol
CID 81412181
[1-[(Hexylamino)methyl]cyclohexyl]methanol
CID 81412220
[1-[[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol
CID 103277032

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylidenebutylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(2-methylidenebutylamino)methyl]cyclohexyl]methanol (CID 103966428) is [1-[(2-methylidenebutylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-methylidenebutylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-methylidenebutylamino)methyl]cyclohexyl]methanol is C=C(CC)CNCC1(CO)CCCCC1.
What is the InChIKey of [1-[(2-methylidenebutylamino)methyl]cyclohexyl]methanol?
The InChIKey is VVMNZJOIMFVRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-12(2)9-14-10-13(11-15)7-5-4-6-8-13/h14-15H,2-11H2,1H3.
What are the key properties of [1-[(2-methylidenebutylamino)methyl]cyclohexyl]methanol?
[1-[(2-methylidenebutylamino)methyl]cyclohexyl]methanol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylidenebutylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 103966428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).