(2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol

C9H20N2O — CID 106933660

IUPAC(2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol
SMILESC[C@H](O)CN(C)C(CN)C1CC1
InChIInChI=1S/C9H20N2O/c1-7(12)6-11(2)9(5-10)8-3-4-8/h7-9,12H,3-6,10H2,1-2H3/t7-,9?/m0/s1
InChIKeyWMMIGKUIPBBKNT-JAVCKPHESA-N
MW172.27 g/mol
LogP0.04
Rot. Bonds5

About (2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol

(2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol (PubChem CID 106933660) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol
PubChem CID106933660
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol
SMILESC[C@H](O)CN(C)C(CN)C1CC1
InChIInChI=1S/C9H20N2O/c1-7(12)6-11(2)9(5-10)8-3-4-8/h7-9,12H,3-6,10H2,1-2H3/t7-,9?/m0/s1
InChIKeyWMMIGKUIPBBKNT-JAVCKPHESA-N
XLogP0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(Dimethylamino)-4-methylpentan-2-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 63899637
3-[(2-Amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol
CID 116652889
1-(3-Amino-4-methylpiperidin-1-yl)-3-fluoropropan-2-ol
CID 130920078
1-(3-Amino-5-methylpiperidin-1-yl)-3-fluoropropan-2-ol
CID 131165516
1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol
CID 165443786
rac-1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-3-fluoropropan-2-ol
CID 178190569
1-Cyclopropyl-2-(propan-2-ylamino)ethanol
CID 62773542
1-(Cyclopropylamino)-3-methylpentan-2-ol
CID 62773736
1-[2-[Cyclopropyl(methyl)amino]ethylamino]propan-2-ol
CID 62977034
1-[4-[(Cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol
CID 63849462
1-[2-Aminoethyl(cyclopropyl)amino]propan-2-ol
CID 65277308
(S)-1-(3-methyl-2-(methylamino)butyl)azetidin-3-ol
CID 67772249

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol (CID 106933660) is (2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol is C[C@H](O)CN(C)C(CN)C1CC1.
What is the InChIKey of (2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol?
The InChIKey is WMMIGKUIPBBKNT-JAVCKPHESA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(12)6-11(2)9(5-10)8-3-4-8/h7-9,12H,3-6,10H2,1-2H3/t7-,9?/m0/s1.
What are the key properties of (2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol?
(2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol is sourced from PubChem (CID 106933660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).