2-amino-5,5-dimethylcycloheptan-1-ol;ethane

C11H25NO — CID 162724462

IUPAC2-amino-5,5-dimethylcycloheptan-1-ol;ethane
SMILESCC.CC1(C)CCC(N)C(O)CC1
InChIInChI=1S/C9H19NO.C2H6/c1-9(2)5-3-7(10)8(11)4-6-9;1-2/h7-8,11H,3-6,10H2,1-2H3;1-2H3
InChIKeyJDUHYQQZTQVURM-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.30
Rot. Bonds

About 2-amino-5,5-dimethylcycloheptan-1-ol;ethane

2-amino-5,5-dimethylcycloheptan-1-ol;ethane (PubChem CID 162724462) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-amino-5,5-dimethylcycloheptan-1-ol;ethane.

Molecular Properties

Compound Name2-amino-5,5-dimethylcycloheptan-1-ol;ethane
PubChem CID162724462
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-amino-5,5-dimethylcycloheptan-1-ol;ethane
SMILESCC.CC1(C)CCC(N)C(O)CC1
InChIInChI=1S/C9H19NO.C2H6/c1-9(2)5-3-7(10)8(11)4-6-9;1-2/h7-8,11H,3-6,10H2,1-2H3;1-2H3
InChIKeyJDUHYQQZTQVURM-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-dimethylcycloheptan-1-ol;ethane?
The IUPAC name of 2-amino-5,5-dimethylcycloheptan-1-ol;ethane (CID 162724462) is 2-amino-5,5-dimethylcycloheptan-1-ol;ethane.
What is the SMILES notation for 2-amino-5,5-dimethylcycloheptan-1-ol;ethane?
The canonical SMILES for 2-amino-5,5-dimethylcycloheptan-1-ol;ethane is CC.CC1(C)CCC(N)C(O)CC1.
What is the InChIKey of 2-amino-5,5-dimethylcycloheptan-1-ol;ethane?
The InChIKey is JDUHYQQZTQVURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-9(2)5-3-7(10)8(11)4-6-9;1-2/h7-8,11H,3-6,10H2,1-2H3;1-2H3.
What are the key properties of 2-amino-5,5-dimethylcycloheptan-1-ol;ethane?
2-amino-5,5-dimethylcycloheptan-1-ol;ethane has a molecular weight of 187.33 g/mol, XLogP of 2.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-dimethylcycloheptan-1-ol;ethane is sourced from PubChem (CID 162724462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).