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

C7H17NO — CID 39235030

IUPAC2-methyl-1-(propylamino)propan-2-ol
SMILESCCCNCC(C)(C)O
InChIInChI=1S/C7H17NO/c1-4-5-8-6-7(2,3)9/h8-9H,4-6H2,1-3H3
InChIKeyBGTOSPGUGMQZPN-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.76
Rot. Bonds4

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

2-methyl-1-(propylamino)propan-2-ol (PubChem CID 39235030) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-methyl-1-(propylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(propylamino)propan-2-ol
PubChem CID39235030
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name2-methyl-1-(propylamino)propan-2-ol
SMILESCCCNCC(C)(C)O
InChIInChI=1S/C7H17NO/c1-4-5-8-6-7(2,3)9/h8-9H,4-6H2,1-3H3
InChIKeyBGTOSPGUGMQZPN-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.76
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 2-methyl-1-(propylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-(propylamino)propan-2-ol (CID 39235030) is 2-methyl-1-(propylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(propylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(propylamino)propan-2-ol is CCCNCC(C)(C)O.
What is the InChIKey of 2-methyl-1-(propylamino)propan-2-ol?
The InChIKey is BGTOSPGUGMQZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-5-8-6-7(2,3)9/h8-9H,4-6H2,1-3H3.
What are the key properties of 2-methyl-1-(propylamino)propan-2-ol?
2-methyl-1-(propylamino)propan-2-ol has a molecular weight of 131.22 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(propylamino)propan-2-ol is sourced from PubChem (CID 39235030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).