3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol

C11H23NO — CID 165445378

IUPAC3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol
SMILESCCCC1(C(O)C(C)(C)CN)CC1
InChIInChI=1S/C11H23NO/c1-4-5-11(6-7-11)9(13)10(2,3)8-12/h9,13H,4-8,12H2,1-3H3
InChIKeyLTAFKGJSQHVZTL-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.91
Rot. Bonds5

About 3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol

3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol (PubChem CID 165445378) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol
PubChem CID165445378
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol
SMILESCCCC1(C(O)C(C)(C)CN)CC1
InChIInChI=1S/C11H23NO/c1-4-5-11(6-7-11)9(13)10(2,3)8-12/h9,13H,4-8,12H2,1-3H3
InChIKeyLTAFKGJSQHVZTL-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol
CID 130964585
1-pentan-2-yl-1-propylcyclopropane
CID 123606932
5-amino-3,4,4-trimethylpentan-2-ol
CID 130514641
1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane
CID 123956694
1-(1-hexylcyclopropyl)ethanol
CID 106798180
1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol
CID 130513360
1-[1-(aminomethyl)cyclopentyl]-2-methylpentan-1-ol
CID 79138410
2-(aminomethyl)-1-(1,2-dimethylcyclopropyl)-2-methylbutan-1-ol
CID 165445181
1-(1-ethylcyclopropyl)-2,2-dimethylpropan-1-amine
CID 130554169
2,2,4,4-tetramethylpentane-1,3,5-triamine
CID 88802410
[1-(aminomethyl)cyclopropyl]-cyclopropylmethanol
CID 102551238
[1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol
CID 79123292

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol?
The IUPAC name of 3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol (CID 165445378) is 3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol?
The canonical SMILES for 3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol is CCCC1(C(O)C(C)(C)CN)CC1.
What is the InChIKey of 3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol?
The InChIKey is LTAFKGJSQHVZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-11(6-7-11)9(13)10(2,3)8-12/h9,13H,4-8,12H2,1-3H3.
What are the key properties of 3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol?
3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol is sourced from PubChem (CID 165445378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).