2-(3-methylbut-3-enylamino)cyclohexan-1-ol

C11H21NO — CID 114472241

IUPAC2-(3-methylbut-3-enylamino)cyclohexan-1-ol
SMILESC=C(C)CCNC1CCCCC1O
InChIInChI=1S/C11H21NO/c1-9(2)7-8-12-10-5-3-4-6-11(10)13/h10-13H,1,3-8H2,2H3
InChIKeyHQZVSNZXYHXMKC-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.85
Rot. Bonds4

About 2-(3-methylbut-3-enylamino)cyclohexan-1-ol

2-(3-methylbut-3-enylamino)cyclohexan-1-ol (PubChem CID 114472241) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(3-methylbut-3-enylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-methylbut-3-enylamino)cyclohexan-1-ol
PubChem CID114472241
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(3-methylbut-3-enylamino)cyclohexan-1-ol
SMILESC=C(C)CCNC1CCCCC1O
InChIInChI=1S/C11H21NO/c1-9(2)7-8-12-10-5-3-4-6-11(10)13/h10-13H,1,3-8H2,2H3
InChIKeyHQZVSNZXYHXMKC-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.85
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

trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
CID 102734200
3-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanamide
CID 93346245
methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate
CID 102731054
3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide
CID 102731154
2-(3,3-dimethylbutylamino)cyclohexan-1-ol
CID 62359482
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
2-(nonylamino)cyclohexan-1-ol
CID 62360571
tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate
CID 103249866
trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol
CID 102731750

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-3-enylamino)cyclohexan-1-ol?
The IUPAC name of 2-(3-methylbut-3-enylamino)cyclohexan-1-ol (CID 114472241) is 2-(3-methylbut-3-enylamino)cyclohexan-1-ol.
What is the SMILES notation for 2-(3-methylbut-3-enylamino)cyclohexan-1-ol?
The canonical SMILES for 2-(3-methylbut-3-enylamino)cyclohexan-1-ol is C=C(C)CCNC1CCCCC1O.
What is the InChIKey of 2-(3-methylbut-3-enylamino)cyclohexan-1-ol?
The InChIKey is HQZVSNZXYHXMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)7-8-12-10-5-3-4-6-11(10)13/h10-13H,1,3-8H2,2H3.
What are the key properties of 2-(3-methylbut-3-enylamino)cyclohexan-1-ol?
2-(3-methylbut-3-enylamino)cyclohexan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-enylamino)cyclohexan-1-ol is sourced from PubChem (CID 114472241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).