(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-[(2-amino-1-cyclopropylethyl)-methylamino]-2-methylpropanenitrile
CID 116652822
N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386315
(2S)-1-[1-cyclopropylethyl(methyl)amino]propan-2-ol
CID 103934958
1-cyclopropyl-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 43654990
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide
CID 116652481
N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61444896
1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol
CID 130729630
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclopropylacetamide
CID 116652957
1-cyclopropyl-N-methyl-N-pent-3-ynylethane-1,2-diamine
CID 116652552
1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea
CID 116652099
1-cyclopropyl-N-(1-cyclopropylpropan-2-yl)-N-methylethane-1,2-diamine
CID 116651488

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).