ethane;2-methyl-1-(propan-2-ylamino)propan-2-ol

C9H23NO — CID 142531433

IUPACethane;2-methyl-1-(propan-2-ylamino)propan-2-ol
SMILESCC.CC(C)NCC(C)(C)O
InChIInChI=1S/C7H17NO.C2H6/c1-6(2)8-5-7(3,4)9;1-2/h6,8-9H,5H2,1-4H3;1-2H3
InChIKeyHPUMKBDDQUMWOD-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.78
Rot. Bonds3

About ethane;2-methyl-1-(propan-2-ylamino)propan-2-ol

ethane;2-methyl-1-(propan-2-ylamino)propan-2-ol (PubChem CID 142531433) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is ethane;2-methyl-1-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Nameethane;2-methyl-1-(propan-2-ylamino)propan-2-ol
PubChem CID142531433
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC Nameethane;2-methyl-1-(propan-2-ylamino)propan-2-ol
SMILESCC.CC(C)NCC(C)(C)O
InChIInChI=1S/C7H17NO.C2H6/c1-6(2)8-5-7(3,4)9;1-2/h6,8-9H,5H2,1-4H3;1-2H3
InChIKeyHPUMKBDDQUMWOD-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-(propan-2-ylamino)propan-2-ol?
The IUPAC name of ethane;2-methyl-1-(propan-2-ylamino)propan-2-ol (CID 142531433) is ethane;2-methyl-1-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for ethane;2-methyl-1-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for ethane;2-methyl-1-(propan-2-ylamino)propan-2-ol is CC.CC(C)NCC(C)(C)O.
What is the InChIKey of ethane;2-methyl-1-(propan-2-ylamino)propan-2-ol?
The InChIKey is HPUMKBDDQUMWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.C2H6/c1-6(2)8-5-7(3,4)9;1-2/h6,8-9H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;2-methyl-1-(propan-2-ylamino)propan-2-ol?
ethane;2-methyl-1-(propan-2-ylamino)propan-2-ol has a molecular weight of 161.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 142531433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).