2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol

C17H35NO — CID 123796456

IUPAC2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol
SMILESCCCC1C(N)C(C)(O)CCC(C)(C)CC1(C)CC
InChIInChI=1S/C17H35NO/c1-7-9-13-14(18)17(6,19)11-10-15(3,4)12-16(13,5)8-2/h13-14,19H,7-12,18H2,1-6H3
InChIKeyYSEDOOJPKKZPBK-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.11
Rot. Bonds3

About 2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol

2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol (PubChem CID 123796456) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol.

Molecular Properties

Compound Name2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol
PubChem CID123796456
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol
SMILESCCCC1C(N)C(C)(O)CCC(C)(C)CC1(C)CC
InChIInChI=1S/C17H35NO/c1-7-9-13-14(18)17(6,19)11-10-15(3,4)12-16(13,5)8-2/h13-14,19H,7-12,18H2,1-6H3
InChIKeyYSEDOOJPKKZPBK-UHFFFAOYSA-N
XLogP4.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,3-trimethyl-3-propylcyclopentane
CID 123680922
3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol
CID 89090393
2-ethyl-2-methylcyclopropan-1-amine
CID 62389905
2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane
CID 71384764
trans-(1R,2S)-2-(hydroxymethyl)-1,5,5-trimethylcycloheptan-1-ol
CID 14359263
1-ethyl-1-methyl-2-propylcyclopropane
CID 72514753
3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol
CID 79567262
propan-1-ol;1,1,3-trimethyl-2-propylcyclohexane
CID 67220237
1-dodecyl-3,3-dimethylcyclopentan-1-amine
CID 80705069
4-methyl-3-propan-2-yl-2-propyltricyclo[2.1.0.01,3]pentane
CID 123510764
4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine
CID 81014415
[3,3-dimethyl-1-(4-propylpiperidin-1-yl)cyclopentyl]methanamine
CID 80705055

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol?
The IUPAC name of 2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol (CID 123796456) is 2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol.
What is the SMILES notation for 2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol?
The canonical SMILES for 2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol is CCCC1C(N)C(C)(O)CCC(C)(C)CC1(C)CC.
What is the InChIKey of 2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol?
The InChIKey is YSEDOOJPKKZPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-7-9-13-14(18)17(6,19)11-10-15(3,4)12-16(13,5)8-2/h13-14,19H,7-12,18H2,1-6H3.
What are the key properties of 2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol?
2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol has a molecular weight of 269.47 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol is sourced from PubChem (CID 123796456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).