2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol

C12H27NO3 — CID 61246280

IUPAC2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCC(O)COC(C)C
InChIInChI=1S/C12H27NO3/c1-9(2)5-11(7-14)13-6-12(15)8-16-10(3)4/h9-15H,5-8H2,1-4H3
InChIKeyBLOJBAHBJMAXIT-UHFFFAOYSA-N
MW233.35 g/mol
LogP0.77
Rot. Bonds9

About 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol

2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol (PubChem CID 61246280) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol
PubChem CID61246280
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCC(O)COC(C)C
InChIInChI=1S/C12H27NO3/c1-9(2)5-11(7-14)13-6-12(15)8-16-10(3)4/h9-15H,5-8H2,1-4H3
InChIKeyBLOJBAHBJMAXIT-UHFFFAOYSA-N
XLogP0.77
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxybutylamino)-4-methylpentan-1-ol
CID 61245406
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol
CID 106989573
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol
CID 61245995
1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol
CID 60634427
1-(4-methylpentan-2-yloxy)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760276
5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol
CID 106160001
N-ethyl-4-methyl-1-propan-2-yloxypentan-2-amine
CID 79574126
4-methyl-2-(2-methylpentylamino)pentan-1-ol
CID 61245377
4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol
CID 106451757
4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol
CID 113376237
4-methyl-2-(propan-2-yloxymethyl)pentan-1-ol
CID 138690403

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol (CID 61246280) is 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol is CC(C)CC(CO)NCC(O)COC(C)C.
What is the InChIKey of 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol?
The InChIKey is BLOJBAHBJMAXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-9(2)5-11(7-14)13-6-12(15)8-16-10(3)4/h9-15H,5-8H2,1-4H3.
What are the key properties of 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol?
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 0.77, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 61246280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).