2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol

C12H23NO2 — CID 106506616

IUPAC2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol
SMILESNCC(CO)(CCC1CCCO1)C1CC1
InChIInChI=1S/C12H23NO2/c13-8-12(9-14,10-3-4-10)6-5-11-2-1-7-15-11/h10-11,14H,1-9,13H2
InChIKeyRRZKISCZZMYLHE-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.29
Rot. Bonds6

About 2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol

2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol (PubChem CID 106506616) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol
PubChem CID106506616
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol
SMILESNCC(CO)(CCC1CCCO1)C1CC1
InChIInChI=1S/C12H23NO2/c13-8-12(9-14,10-3-4-10)6-5-11-2-1-7-15-11/h10-11,14H,1-9,13H2
InChIKeyRRZKISCZZMYLHE-UHFFFAOYSA-N
XLogP1.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol
CID 65161613
2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 106487285
calcium;hydride;oxolan-2-ylmethanol
CID 173198677
1-amino-2-methyl-5-(oxolan-2-yl)pentan-2-ol
CID 66037682
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 83148663
2-(hydroxymethyl)-2-[2-(oxetan-2-yl)ethyl]propane-1,3-diol
CID 67072004
[4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine
CID 81012372
2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
CID 79450832
1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one
CID 116557342
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol
CID 79450280
[(2R)-oxolan-2-yl]methanamine
CID 2734124

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol (CID 106506616) is 2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol is NCC(CO)(CCC1CCCO1)C1CC1.
What is the InChIKey of 2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol?
The InChIKey is RRZKISCZZMYLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c13-8-12(9-14,10-3-4-10)6-5-11-2-1-7-15-11/h10-11,14H,1-9,13H2.
What are the key properties of 2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol?
2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol is sourced from PubChem (CID 106506616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).