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

C9H23NO — CID 171516090

IUPACethane;2-methyl-1-(propylamino)propan-2-ol
SMILESCC.CCCNCC(C)(C)O
InChIInChI=1S/C7H17NO.C2H6/c1-4-5-8-6-7(2,3)9;1-2/h8-9H,4-6H2,1-3H3;1-2H3
InChIKeyQKBMMNPFEANYTQ-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.78
Rot. Bonds4

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

ethane;2-methyl-1-(propylamino)propan-2-ol (PubChem CID 171516090) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is ethane;2-methyl-1-(propylamino)propan-2-ol.

Molecular Properties

Compound Nameethane;2-methyl-1-(propylamino)propan-2-ol
PubChem CID171516090
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC Nameethane;2-methyl-1-(propylamino)propan-2-ol
SMILESCC.CCCNCC(C)(C)O
InChIInChI=1S/C7H17NO.C2H6/c1-4-5-8-6-7(2,3)9;1-2/h8-9H,4-6H2,1-3H3;1-2H3
InChIKeyQKBMMNPFEANYTQ-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-(propylamino)propan-2-ol?
The IUPAC name of ethane;2-methyl-1-(propylamino)propan-2-ol (CID 171516090) is ethane;2-methyl-1-(propylamino)propan-2-ol.
What is the SMILES notation for ethane;2-methyl-1-(propylamino)propan-2-ol?
The canonical SMILES for ethane;2-methyl-1-(propylamino)propan-2-ol is CC.CCCNCC(C)(C)O.
What is the InChIKey of ethane;2-methyl-1-(propylamino)propan-2-ol?
The InChIKey is QKBMMNPFEANYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.C2H6/c1-4-5-8-6-7(2,3)9;1-2/h8-9H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-1-(propylamino)propan-2-ol?
ethane;2-methyl-1-(propylamino)propan-2-ol has a molecular weight of 161.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-(propylamino)propan-2-ol is sourced from PubChem (CID 171516090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).