2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol

C11H23NO — CID 165445181

IUPAC2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)C1(C)CC1C
InChIInChI=1S/C11H23NO/c1-5-10(3,7-12)9(13)11(4)6-8(11)2/h8-9,13H,5-7,12H2,1-4H3
InChIKeyFHLIXQGFAZMIHD-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.77
Rot. Bonds4

About 2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol

2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol (PubChem CID 165445181) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol
PubChem CID165445181
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)C1(C)CC1C
InChIInChI=1S/C11H23NO/c1-5-10(3,7-12)9(13)11(4)6-8(11)2/h8-9,13H,5-7,12H2,1-4H3
InChIKeyFHLIXQGFAZMIHD-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol (CID 165445181) is 2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol is CCC(C)(CN)C(O)C1(C)CC1C.
What is the InChIKey of 2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol?
The InChIKey is FHLIXQGFAZMIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-10(3,7-12)9(13)11(4)6-8(11)2/h8-9,13H,5-7,12H2,1-4H3.
What are the key properties of 2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol?
2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol is sourced from PubChem (CID 165445181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).