1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol

C12H23NO — CID 114472357

IUPAC1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol
SMILESC=C(C)CCNCC1(O)CCCCC1
InChIInChI=1S/C12H23NO/c1-11(2)6-9-13-10-12(14)7-4-3-5-8-12/h13-14H,1,3-10H2,2H3
InChIKeyGDDMDYRFUJIRMG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds5

About 1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol

1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol (PubChem CID 114472357) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol
PubChem CID114472357
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol
SMILESC=C(C)CCNCC1(O)CCCCC1
InChIInChI=1S/C12H23NO/c1-11(2)6-9-13-10-12(14)7-4-3-5-8-12/h13-14H,1,3-10H2,2H3
InChIKeyGDDMDYRFUJIRMG-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(Butylamino)prop-1-en-2-yl]cyclohexan-1-ol
CID 10420692
CID 57585233
CID 57585233
1-((Propylamino)methyl)cyclohexan-1-ol
CID 60902090
1-[(Ethylamino)methyl]cyclohexan-1-ol
CID 60904274
1-{[(2-Methylpropyl)amino]methyl}cyclohexan-1-ol
CID 60904296
2-(5-Methylidenepiperidin-2-yl)propan-2-ol
CID 123222464
Ethane;1-(ethylaminomethyl)cyclohexan-1-ol
CID 156743005
4-Cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol
CID 170714329
1-[[2-(Cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol
CID 55038351
1-{[(3-Methylbutyl)amino]methyl}cyclohexan-1-ol
CID 60896954
1-[(Butylamino)methyl]cyclohexan-1-ol
CID 60897111
1-[(Pentylamino)methyl]cyclohexan-1-ol
CID 60899163

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol (CID 114472357) is 1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol is C=C(C)CCNCC1(O)CCCCC1.
What is the InChIKey of 1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol?
The InChIKey is GDDMDYRFUJIRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)6-9-13-10-12(14)7-4-3-5-8-12/h13-14H,1,3-10H2,2H3.
What are the key properties of 1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol?
1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylbut-3-enylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 114472357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).