1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol

C17H37NO2 — CID 60635420

IUPAC1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCC(C)CCCC(C)NCC(O)COC(C)CC(C)C
InChIInChI=1S/C17H37NO2/c1-13(2)8-7-9-15(5)18-11-17(19)12-20-16(6)10-14(3)4/h13-19H,7-12H2,1-6H3
InChIKeyBRWKKIMCEJQXJT-UHFFFAOYSA-N
MW287.49 g/mol
LogP3.60
Rot. Bonds12

About 1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol

1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol (PubChem CID 60635420) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
PubChem CID60635420
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCC(C)CCCC(C)NCC(O)COC(C)CC(C)C
InChIInChI=1S/C17H37NO2/c1-13(2)8-7-9-15(5)18-11-17(19)12-20-16(6)10-14(3)4/h13-19H,7-12H2,1-6H3
InChIKeyBRWKKIMCEJQXJT-UHFFFAOYSA-N
XLogP3.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol
CID 113376237
1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 81396507
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
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol
CID 60909433
1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 62405754
1-(heptan-2-ylamino)-3-methoxypropan-2-ol
CID 63930489
methyl 2-bromo-3-(6-methylheptan-2-ylamino)propanoate
CID 103247206
1-(3,3-dimethylbutylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 115581046
3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide
CID 54938438
3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol
CID 115359751

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol (CID 60635420) is 1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol is CC(C)CCCC(C)NCC(O)COC(C)CC(C)C.
What is the InChIKey of 1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
The InChIKey is BRWKKIMCEJQXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-13(2)8-7-9-15(5)18-11-17(19)12-20-16(6)10-14(3)4/h13-19H,7-12H2,1-6H3.
What are the key properties of 1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol?
1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol has a molecular weight of 287.49 g/mol, XLogP of 3.60, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol is sourced from PubChem (CID 60635420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).