3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol

C8H17NO — CID 131123429

IUPAC3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol
SMILESCC1(C)CC1C(N)CCO
InChIInChI=1S/C8H17NO/c1-8(2)5-6(8)7(9)3-4-10/h6-7,10H,3-5,9H2,1-2H3
InChIKeyQZJFRKZODCDCSF-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.74
Rot. Bonds3

About 3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol

3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol (PubChem CID 131123429) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol
PubChem CID131123429
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol
SMILESCC1(C)CC1C(N)CCO
InChIInChI=1S/C8H17NO/c1-8(2)5-6(8)7(9)3-4-10/h6-7,10H,3-5,9H2,1-2H3
InChIKeyQZJFRKZODCDCSF-UHFFFAOYSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2,2-dimethylcyclopropyl)propan-1-amine
CID 107924727
1-(2,2-dimethylcyclopropyl)-2-methoxyethanamine
CID 107004727
(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine
CID 90067113
[(1S)-2,2-dimethylcyclopropyl]methanediol
CID 70611170
(3R)-3-amino-3-(azetidin-3-yl)propan-1-ol
CID 97168753
1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol
CID 107005279
2-(aminomethyl)-1-(2,2-dimethylcyclopropyl)pentan-1-ol
CID 107003526
3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol
CID 104575909
1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine
CID 107000929
2-(1,4-diaminohexyl)cyclobutane-1,1-dicarboxylic acid;platinum
CID 88513685
[1-(aminomethyl)cyclobutyl]-(2,2-dimethylcyclopropyl)methanol
CID 165443186
[1-(2,2-dimethylcyclopropyl)-4-methylpentyl]hydrazine
CID 107005606

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol?
The IUPAC name of 3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol (CID 131123429) is 3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol is CC1(C)CC1C(N)CCO.
What is the InChIKey of 3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol?
The InChIKey is QZJFRKZODCDCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2)5-6(8)7(9)3-4-10/h6-7,10H,3-5,9H2,1-2H3.
What are the key properties of 3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol?
3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol is sourced from PubChem (CID 131123429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).