1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol

C17H35NO — CID 65121102

IUPAC1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCCCCC(CC)CNCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C17H35NO/c1-5-7-8-15(6-2)13-18-14-17(19)11-9-16(3,4)10-12-17/h15,18-19H,5-14H2,1-4H3
InChIKeyNIYIWRITOZIKRI-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.12
Rot. Bonds8

About 1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol

1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 65121102) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID65121102
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCCCCC(CC)CNCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C17H35NO/c1-5-7-8-15(6-2)13-18-14-17(19)11-9-16(3,4)10-12-17/h15,18-19H,5-14H2,1-4H3
InChIKeyNIYIWRITOZIKRI-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol
CID 65085643
1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol
CID 115756769
1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol
CID 106115528
N,2-diethylhexan-1-amine
CID 14272988
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
1-(butylaminomethyl)cyclopropan-1-ol
CID 89141441
4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
CID 65120554
octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 173007117
dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 87301269
N-(2-ethylhexyl)-1-methylcyclopentan-1-amine
CID 63492911
2-ethyl-N-pentylhexan-1-amine
CID 43081963
3-N-(2-ethylhexyl)propane-1,1,3-triamine
CID 142717096

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol (CID 65121102) is 1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol is CCCCC(CC)CNCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is NIYIWRITOZIKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-7-8-15(6-2)13-18-14-17(19)11-9-16(3,4)10-12-17/h15,18-19H,5-14H2,1-4H3.
What are the key properties of 1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol?
1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 269.47 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65121102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).