2-methyl-3-(pentylamino)propan-1-ol

C9H21NO — CID 54274181

IUPAC2-methyl-3-(pentylamino)propan-1-ol
SMILESCCCCCNCC(C)CO
InChIInChI=1S/C9H21NO/c1-3-4-5-6-10-7-9(2)8-11/h9-11H,3-8H2,1-2H3
InChIKeyQPRBHJLWNQMJPC-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.39
Rot. Bonds7

About 2-methyl-3-(pentylamino)propan-1-ol

2-methyl-3-(pentylamino)propan-1-ol (PubChem CID 54274181) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-methyl-3-(pentylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(pentylamino)propan-1-ol
PubChem CID54274181
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-methyl-3-(pentylamino)propan-1-ol
SMILESCCCCCNCC(C)CO
InChIInChI=1S/C9H21NO/c1-3-4-5-6-10-7-9(2)8-11/h9-11H,3-8H2,1-2H3
InChIKeyQPRBHJLWNQMJPC-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.39
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-3-(pentylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-(pentylamino)propan-1-ol (CID 54274181) is 2-methyl-3-(pentylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(pentylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-(pentylamino)propan-1-ol is CCCCCNCC(C)CO.
What is the InChIKey of 2-methyl-3-(pentylamino)propan-1-ol?
The InChIKey is QPRBHJLWNQMJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-3-4-5-6-10-7-9(2)8-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-3-(pentylamino)propan-1-ol?
2-methyl-3-(pentylamino)propan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pentylamino)propan-1-ol is sourced from PubChem (CID 54274181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).