5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol

C12H28N2O — CID 62228988

IUPAC5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol
SMILESCCCN(CCCCCO)CCN(C)C
InChIInChI=1S/C12H28N2O/c1-4-8-14(11-10-13(2)3)9-6-5-7-12-15/h15H,4-12H2,1-3H3
InChIKeyPIUPPFNLLBAQHX-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.42
Rot. Bonds10

About 5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol

5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol (PubChem CID 62228988) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol
PubChem CID62228988
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol
SMILESCCCN(CCCCCO)CCN(C)C
InChIInChI=1S/C12H28N2O/c1-4-8-14(11-10-13(2)3)9-6-5-7-12-15/h15H,4-12H2,1-3H3
InChIKeyPIUPPFNLLBAQHX-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
3-[decyl(propyl)amino]propan-1-ol
CID 13122229
13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
CID 102118007
bis(N,N-dipropylpropan-1-amine);heptan-1-ol
CID 87768576
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
CID 102118011
8-[butyl(8-hydroxyoctyl)amino]octan-1-ol
CID 139645633
6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692
6-(dibutylamino)hexan-1-ol
CID 22218557
N,N-didodecyldodecan-1-amine;hexan-1-ol
CID 90010873
13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol
CID 102118025
10-[hexyl(10-hydroxydecyl)amino]decan-1-ol
CID 102117974

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol?
The IUPAC name of 5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol (CID 62228988) is 5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol?
The canonical SMILES for 5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol is CCCN(CCCCCO)CCN(C)C.
What is the InChIKey of 5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol?
The InChIKey is PIUPPFNLLBAQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-4-8-14(11-10-13(2)3)9-6-5-7-12-15/h15H,4-12H2,1-3H3.
What are the key properties of 5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol?
5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol is sourced from PubChem (CID 62228988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).