(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol

C6H16N2O — CID 58592003

IUPAC(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol
SMILESC[C@@H](CO)CNCCN
InChIInChI=1S/C6H16N2O/c1-6(5-9)4-8-3-2-7/h6,8-9H,2-5,7H2,1H3/t6-/m1/s1
InChIKeyLFYDTFISMGYCRC-ZCFIWIBFSA-N
MW132.21 g/mol
LogP-0.84
Rot. Bonds5

About (2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol

(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol (PubChem CID 58592003) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is (2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol
PubChem CID58592003
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol
SMILESC[C@@H](CO)CNCCN
InChIInChI=1S/C6H16N2O/c1-6(5-9)4-8-3-2-7/h6,8-9H,2-5,7H2,1H3/t6-/m1/s1
InChIKeyLFYDTFISMGYCRC-ZCFIWIBFSA-N
XLogP-0.84
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
3-(heptylamino)-2-methylpropan-1-ol
CID 65031965
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
3-(4-methoxybutylamino)-2-methylpropan-1-ol
CID 104647456
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378
methyl 3-[(5-hydroxy-4-methylpentyl)amino]-2-methylpropanoate
CID 106160216
3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol
CID 88540594
N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine
CID 59969220
(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol
CID 65036137
N'-[(2R)-3-[dimethoxy(methyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 99771056
N'-[3-[methoxy(dimethyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 53421710
4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide
CID 80544789

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol?
The IUPAC name of (2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol (CID 58592003) is (2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for (2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol?
The canonical SMILES for (2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol is C[C@@H](CO)CNCCN.
What is the InChIKey of (2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol?
The InChIKey is LFYDTFISMGYCRC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H16N2O/c1-6(5-9)4-8-3-2-7/h6,8-9H,2-5,7H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol?
(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol has a molecular weight of 132.21 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 58592003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).