1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol

C9H23N3O — CID 106145662

IUPAC1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCC(CN)NCC(C)(O)CN(C)C
InChIInChI=1S/C9H23N3O/c1-8(5-10)11-6-9(2,13)7-12(3)4/h8,11,13H,5-7,10H2,1-4H3
InChIKeyHZSXXYYIDRUQJN-UHFFFAOYSA-N
MW189.30 g/mol
LogP-0.76
Rot. Bonds6

About 1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol

1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106145662) has the molecular formula C9H23N3O and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106145662
Molecular FormulaC9H23N3O
Molecular Weight189.30 g/mol
Exact Mass189.18
IUPAC Name1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCC(CN)NCC(C)(O)CN(C)C
InChIInChI=1S/C9H23N3O/c1-8(5-10)11-6-9(2,13)7-12(3)4/h8,11,13H,5-7,10H2,1-4H3
InChIKeyHZSXXYYIDRUQJN-UHFFFAOYSA-N
XLogP-0.76
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol
CID 106145228
(2R)-2-N-(2,2-dimethylpropyl)propane-1,2-diamine
CID 104868190
5-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-methylpentanamide
CID 106148529
1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 106147817
1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol
CID 115895816
1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
CID 103904363
1-(dimethylamino)-3-(hexan-3-ylamino)-2-methylpropan-2-ol
CID 115906563
1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145231
1-(1-cyclopropylpropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 115895807
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide
CID 114150009
1-[ethyl(methyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335154
1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 115895822

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol (CID 106145662) is 1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol is CC(CN)NCC(C)(O)CN(C)C.
What is the InChIKey of 1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is HZSXXYYIDRUQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O/c1-8(5-10)11-6-9(2,13)7-12(3)4/h8,11,13H,5-7,10H2,1-4H3.
What are the key properties of 1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol?
1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 189.30 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106145662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).