1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol

C11H23NO — CID 83906952

IUPAC1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol
SMILESCC1CCCCC(C)C1(O)CCN
InChIInChI=1S/C11H23NO/c1-9-5-3-4-6-10(2)11(9,13)7-8-12/h9-10,13H,3-8,12H2,1-2H3
InChIKeyFSBFGSIMCNNBDC-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.91
Rot. Bonds2

About 1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol

1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol (PubChem CID 83906952) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol
PubChem CID83906952
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol
SMILESCC1CCCCC(C)C1(O)CCN
InChIInChI=1S/C11H23NO/c1-9-5-3-4-6-10(2)11(9,13)7-8-12/h9-10,13H,3-8,12H2,1-2H3
InChIKeyFSBFGSIMCNNBDC-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol
CID 83905899
1-ethyl-2,6-dimethylcyclohexan-1-ol
CID 86221800
cis-(1R,2S)-1-(aminomethyl)-2-methylcyclohexan-1-ol
CID 93046973
1-amino-2,6-dimethylcyclohexan-1-ol
CID 176657357
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol
CID 79126602
N-(2-aminoethyl)-N-(1,2-dimethylcyclohexyl)hydroxylamine
CID 174799033
2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine
CID 115062827
1-(1-amino-2-methylpropan-2-yl)-3-methylcyclopentan-1-ol
CID 79125565
1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol
CID 79123958
2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanamine
CID 65479951
1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid
CID 83906995
(2,7-dimethylcycloheptyl)methanamine
CID 83905212

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol?
The IUPAC name of 1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol (CID 83906952) is 1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol.
What is the SMILES notation for 1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol?
The canonical SMILES for 1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol is CC1CCCCC(C)C1(O)CCN.
What is the InChIKey of 1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol?
The InChIKey is FSBFGSIMCNNBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9-5-3-4-6-10(2)11(9,13)7-8-12/h9-10,13H,3-8,12H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol?
1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2,7-dimethylcycloheptan-1-ol is sourced from PubChem (CID 83906952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).