(1R)-2-amino-1,4,5-trimethyl-8-methylidenecyclooctan-1-ol

C12H23NO — CID 163712955

IUPAC(1R)-2-amino-1,4,5-trimethyl-8-methylidenecyclooctan-1-ol
SMILESC=C1CCC(C)C(C)CC(N)[C@]1(C)O
InChIInChI=1S/C12H23NO/c1-8-5-6-10(3)12(4,14)11(13)7-9(8)2/h8-9,11,14H,3,5-7,13H2,1-2,4H3/t8?,9?,11?,12-/m1/s1
InChIKeyKKWKOVMGHRACTC-HYHRHQCWSA-N
MW197.32 g/mol
LogP2.08
Rot. Bonds

About (1R)-2-amino-1,4,5-trimethyl-8-methylidenecyclooctan-1-ol

(1R)-2-amino-1,4,5-trimethyl-8-methylidenecyclooctan-1-ol (PubChem CID 163712955) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (1R)-2-amino-1,4,5-trimethyl-8-methylidenecyclooctan-1-ol.

Molecular Properties

Compound Name(1R)-2-amino-1,4,5-trimethyl-8-methylidenecyclooctan-1-ol
PubChem CID163712955
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(1R)-2-amino-1,4,5-trimethyl-8-methylidenecyclooctan-1-ol
SMILESC=C1CCC(C)C(C)CC(N)[C@]1(C)O
InChIInChI=1S/C12H23NO/c1-8-5-6-10(3)12(4,14)11(13)7-9(8)2/h8-9,11,14H,3,5-7,13H2,1-2,4H3/t8?,9?,11?,12-/m1/s1
InChIKeyKKWKOVMGHRACTC-HYHRHQCWSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.08
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

cis-(3S,4R)-2-hydroxy-2,3,4-trimethylcyclohexan-1-one
CID 10920759
(E)-1-(2,2,6-trimethyl-3-methylidenecyclohexyl)but-2-en-1-one
CID 22361769
1-[(1S,6R)-2,2,6-trimethyl-3-methylidenecyclohexyl]but-2-en-1-one
CID 67626798
(1S,2S,4aR,8R,8aS)-2,8-dimethyl-5-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1,2-diol
CID 91895386
(4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol
CID 10977052
2,3-dimethyl-6-methylideneoxan-2-ol
CID 22948704
1,2-dimethyl-3-methylidenecyclopentane
CID 529615
ethene;2-methylcyclohexan-1-amine
CID 142086710
trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine
CID 89221861
(3R,3aR,6R,7aR)-3,6-dimethyl-5-methylidene-2,3,3a,4,7,7a-hexahydro-1-benzofuran-6-ol
CID 23242119
cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
CID 142167756
1,2,3-trimethyl-4-methylidenecyclohexane
CID 123416600

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1,4,5-trimethyl-8-methylidenecyclooctan-1-ol?
The IUPAC name of (1R)-2-amino-1,4,5-trimethyl-8-methylidenecyclooctan-1-ol (CID 163712955) is (1R)-2-amino-1,4,5-trimethyl-8-methylidenecyclooctan-1-ol.
What is the SMILES notation for (1R)-2-amino-1,4,5-trimethyl-8-methylidenecyclooctan-1-ol?
The canonical SMILES for (1R)-2-amino-1,4,5-trimethyl-8-methylidenecyclooctan-1-ol is C=C1CCC(C)C(C)CC(N)[C@]1(C)O.
What is the InChIKey of (1R)-2-amino-1,4,5-trimethyl-8-methylidenecyclooctan-1-ol?
The InChIKey is KKWKOVMGHRACTC-HYHRHQCWSA-N. The full InChI is InChI=1S/C12H23NO/c1-8-5-6-10(3)12(4,14)11(13)7-9(8)2/h8-9,11,14H,3,5-7,13H2,1-2,4H3/t8?,9?,11?,12-/m1/s1.
What are the key properties of (1R)-2-amino-1,4,5-trimethyl-8-methylidenecyclooctan-1-ol?
(1R)-2-amino-1,4,5-trimethyl-8-methylidenecyclooctan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1,4,5-trimethyl-8-methylidenecyclooctan-1-ol is sourced from PubChem (CID 163712955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).