4-[(pentylamino)methylamino]butan-1-ol

C10H24N2O — CID 138491403

IUPAC4-[(pentylamino)methylamino]butan-1-ol
SMILESCCCCCNCNCCCCO
InChIInChI=1S/C10H24N2O/c1-2-3-4-7-11-10-12-8-5-6-9-13/h11-13H,2-10H2,1H3
InChIKeyCFBSLSXERVPLMZ-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.09
Rot. Bonds10

About 4-[(pentylamino)methylamino]butan-1-ol

4-[(pentylamino)methylamino]butan-1-ol (PubChem CID 138491403) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 4-[(pentylamino)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(pentylamino)methylamino]butan-1-ol
PubChem CID138491403
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name4-[(pentylamino)methylamino]butan-1-ol
SMILESCCCCCNCNCCCCO
InChIInChI=1S/C10H24N2O/c1-2-3-4-7-11-10-12-8-5-6-9-13/h11-13H,2-10H2,1H3
InChIKeyCFBSLSXERVPLMZ-UHFFFAOYSA-N
XLogP1.09
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

8-(undecylamino)octan-1-ol
CID 139305047
4-(octylamino)butan-1-ol;hydrochloride
CID 71413305
N,N'-dioctylmethanediamine
CID 175060876
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
dodecan-1-ol;2-(2-hydroxyethylamino)ethanol
CID 174424821
N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol
CID 21412290
hexan-1-ol;nonane
CID 175106830
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
decane;decan-1-ol
CID 22418527

Frequently Asked Questions

What is the IUPAC name of 4-[(pentylamino)methylamino]butan-1-ol?
The IUPAC name of 4-[(pentylamino)methylamino]butan-1-ol (CID 138491403) is 4-[(pentylamino)methylamino]butan-1-ol.
What is the SMILES notation for 4-[(pentylamino)methylamino]butan-1-ol?
The canonical SMILES for 4-[(pentylamino)methylamino]butan-1-ol is CCCCCNCNCCCCO.
What is the InChIKey of 4-[(pentylamino)methylamino]butan-1-ol?
The InChIKey is CFBSLSXERVPLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-2-3-4-7-11-10-12-8-5-6-9-13/h11-13H,2-10H2,1H3.
What are the key properties of 4-[(pentylamino)methylamino]butan-1-ol?
4-[(pentylamino)methylamino]butan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 1.09, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pentylamino)methylamino]butan-1-ol is sourced from PubChem (CID 138491403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).