2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol

C12H23NO — CID 144726385

IUPAC2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol
SMILESNC(CO)(CC1CCC1)CC1CCC1
InChIInChI=1S/C12H23NO/c13-12(9-14,7-10-3-1-4-10)8-11-5-2-6-11/h10-11,14H,1-9,13H2
InChIKeyDQVGELQLZIZGHC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.06
Rot. Bonds5

About 2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol

2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol (PubChem CID 144726385) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol
PubChem CID144726385
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol
SMILESNC(CO)(CC1CCC1)CC1CCC1
InChIInChI=1S/C12H23NO/c13-12(9-14,7-10-3-1-4-10)8-11-5-2-6-11/h10-11,14H,1-9,13H2
InChIKeyDQVGELQLZIZGHC-UHFFFAOYSA-N
XLogP2.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-di(cyclobutyl)-2-(cyclobutylmethyl)propan-2-amine
CID 70927498
1,3-dicyclopropyl-2-(cyclopropylmethyl)propan-2-amine
CID 89107524
1-cyclobutyl-2-(cyclopropylmethyl)pent-4-en-2-amine
CID 89107543
2-(aminomethyl)-3-cyclobutyl-2-methylpropan-1-ol
CID 84716654
1-cyclobutyl-2-(cyclobutylmethyl)-4-methylhexan-2-amine
CID 70927505
2-(aminomethyl)-2-(cyclohexylmethyl)-3-cyclopropylpropan-1-ol
CID 106506751
2-amino-1-cyclohexylpropan-2-ol
CID 57094409
3-cycloheptyl-2,2-difluoropropan-1-ol
CID 105446100
2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol
CID 106206804
(2S)-2-amino-3-cyclohexyl-2-(1,3-dioxan-2-yl)propan-1-ol
CID 54452264
2-(cyclopentylmethyl)-2-ethylbutan-1-ol
CID 66058711
2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol
CID 79449950

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol?
The IUPAC name of 2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol (CID 144726385) is 2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol?
The canonical SMILES for 2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol is NC(CO)(CC1CCC1)CC1CCC1.
What is the InChIKey of 2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol?
The InChIKey is DQVGELQLZIZGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c13-12(9-14,7-10-3-1-4-10)8-11-5-2-6-11/h10-11,14H,1-9,13H2.
What are the key properties of 2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol?
2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol is sourced from PubChem (CID 144726385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).