4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol

C14H29NO — CID 65115854

IUPAC4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
SMILESCCC(C)CNCC1(O)CCC(CC)CC1
InChIInChI=1S/C14H29NO/c1-4-12(3)10-15-11-14(16)8-6-13(5-2)7-9-14/h12-13,15-16H,4-11H2,1-3H3
InChIKeyWLDHYUUETCKURA-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds6

About 4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol

4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol (PubChem CID 65115854) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
PubChem CID65115854
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
SMILESCCC(C)CNCC1(O)CCC(CC)CC1
InChIInChI=1S/C14H29NO/c1-4-12(3)10-15-11-14(16)8-6-13(5-2)7-9-14/h12-13,15-16H,4-11H2,1-3H3
InChIKeyWLDHYUUETCKURA-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol
CID 81094795
4-ethyl-1-(2-methylbutyl)cyclohexan-1-ol
CID 65147481
2-amino-3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]propanoic acid
CID 103253424
1-[(2-methylpropylamino)methyl]-4-propylcyclohexan-1-ol
CID 62774717
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264
4-ethyl-1-[(4-hydroxybutylamino)methyl]cyclohexan-1-ol
CID 65118737
1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
CID 62772640
2-ethylsulfanyl-1-[(2-methylbutylamino)methyl]cyclobutan-1-ol
CID 115887809
4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
1-[(2-methylpropylamino)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62773562

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol (CID 65115854) is 4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol is CCC(C)CNCC1(O)CCC(CC)CC1.
What is the InChIKey of 4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol?
The InChIKey is WLDHYUUETCKURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-12(3)10-15-11-14(16)8-6-13(5-2)7-9-14/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol?
4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).