3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol

C12H24N2O — CID 114357128

IUPAC3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol
SMILESCN(CC1CCC1)C(CO)C(N)C1CC1
InChIInChI=1S/C12H24N2O/c1-14(7-9-3-2-4-9)11(8-15)12(13)10-5-6-10/h9-12,15H,2-8,13H2,1H3
InChIKeyDMOSWXQSPIRYJY-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.82
Rot. Bonds6

About 3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol

3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol (PubChem CID 114357128) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol
PubChem CID114357128
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol
SMILESCN(CC1CCC1)C(CO)C(N)C1CC1
InChIInChI=1S/C12H24N2O/c1-14(7-9-3-2-4-9)11(8-15)12(13)10-5-6-10/h9-12,15H,2-8,13H2,1H3
InChIKeyDMOSWXQSPIRYJY-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 131200890
3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
CID 114357468
3-amino-3-cyclopropyl-2-(dipropylamino)propan-1-ol
CID 114356470
2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 64787802
2-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 115772276
3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol
CID 114356481
2-N-(cyclobutylmethyl)-3-ethyl-2-N-methylpentane-1,2-diamine
CID 62861474
3-[cyclobutylmethyl(methyl)amino]butan-2-ol
CID 62861360
N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61444896
2-N-(cyclobutylmethyl)-1-N,2-N,3-trimethylbutane-1,2-diamine
CID 62856242
3-amino-2-cyclobutyloxy-3-cyclopropylpropan-1-ol
CID 114358245

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol?
The IUPAC name of 3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol (CID 114357128) is 3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol.
What is the SMILES notation for 3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol?
The canonical SMILES for 3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol is CN(CC1CCC1)C(CO)C(N)C1CC1.
What is the InChIKey of 3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol?
The InChIKey is DMOSWXQSPIRYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-14(7-9-3-2-4-9)11(8-15)12(13)10-5-6-10/h9-12,15H,2-8,13H2,1H3.
What are the key properties of 3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol?
3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[cyclobutylmethyl(methyl)amino]-3-cyclopropylpropan-1-ol is sourced from PubChem (CID 114357128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).