5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol

C11H26N2O — CID 107316964

IUPAC5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol
SMILESCCC(C)C(CN)NCCCCCO
InChIInChI=1S/C11H26N2O/c1-3-10(2)11(9-12)13-7-5-4-6-8-14/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeyZERRVWPSRDNWLO-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.11
Rot. Bonds9

About 5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol

5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol (PubChem CID 107316964) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol
PubChem CID107316964
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol
SMILESCCC(C)C(CN)NCCCCCO
InChIInChI=1S/C11H26N2O/c1-3-10(2)11(9-12)13-7-5-4-6-8-14/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeyZERRVWPSRDNWLO-UHFFFAOYSA-N
XLogP1.11
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol (CID 107316964) is 5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol is CCC(C)C(CN)NCCCCCO.
What is the InChIKey of 5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol?
The InChIKey is ZERRVWPSRDNWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-3-10(2)11(9-12)13-7-5-4-6-8-14/h10-11,13-14H,3-9,12H2,1-2H3.
What are the key properties of 5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol?
5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 1.11, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 107316964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).