1-(heptan-2-ylamino)-3-methoxypropan-2-ol

C11H25NO2 — CID 63930489

IUPAC1-(heptan-2-ylamino)-3-methoxypropan-2-ol
SMILESCCCCCC(C)NCC(O)COC
InChIInChI=1S/C11H25NO2/c1-4-5-6-7-10(2)12-8-11(13)9-14-3/h10-13H,4-9H2,1-3H3
InChIKeyJIQCJCCGYYZKOH-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.55
Rot. Bonds9

About 1-(heptan-2-ylamino)-3-methoxypropan-2-ol

1-(heptan-2-ylamino)-3-methoxypropan-2-ol (PubChem CID 63930489) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(heptan-2-ylamino)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(heptan-2-ylamino)-3-methoxypropan-2-ol
PubChem CID63930489
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-(heptan-2-ylamino)-3-methoxypropan-2-ol
SMILESCCCCCC(C)NCC(O)COC
InChIInChI=1S/C11H25NO2/c1-4-5-6-7-10(2)12-8-11(13)9-14-3/h10-13H,4-9H2,1-3H3
InChIKeyJIQCJCCGYYZKOH-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol
CID 64603424
1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol
CID 116534815
1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199472
1-(heptan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60635119
3-[(3-hexoxy-2-hydroxypropyl)amino]butan-1-ol
CID 83176581
1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol
CID 64604441
1-(heptan-2-ylamino)-3-methylpentan-2-ol
CID 115719538
1-(4-chlorophenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635716
1-(4-bromophenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635405
1-(hexan-2-ylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 62200405
1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol
CID 21332381

Frequently Asked Questions

What is the IUPAC name of 1-(heptan-2-ylamino)-3-methoxypropan-2-ol?
The IUPAC name of 1-(heptan-2-ylamino)-3-methoxypropan-2-ol (CID 63930489) is 1-(heptan-2-ylamino)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(heptan-2-ylamino)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(heptan-2-ylamino)-3-methoxypropan-2-ol is CCCCCC(C)NCC(O)COC.
What is the InChIKey of 1-(heptan-2-ylamino)-3-methoxypropan-2-ol?
The InChIKey is JIQCJCCGYYZKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-5-6-7-10(2)12-8-11(13)9-14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-(heptan-2-ylamino)-3-methoxypropan-2-ol?
1-(heptan-2-ylamino)-3-methoxypropan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(heptan-2-ylamino)-3-methoxypropan-2-ol is sourced from PubChem (CID 63930489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).