1-[2-(dimethylamino)ethylamino]heptan-1-ol

C11H26N2O — CID 147069081

IUPAC1-[2-(dimethylamino)ethylamino]heptan-1-ol
SMILESCCCCCCC(O)NCCN(C)C
InChIInChI=1S/C11H26N2O/c1-4-5-6-7-8-11(14)12-9-10-13(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyBEROPHSYTZOVHL-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.43
Rot. Bonds9

About 1-[2-(dimethylamino)ethylamino]heptan-1-ol

1-[2-(dimethylamino)ethylamino]heptan-1-ol (PubChem CID 147069081) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylamino]heptan-1-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylamino]heptan-1-ol
PubChem CID147069081
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name1-[2-(dimethylamino)ethylamino]heptan-1-ol
SMILESCCCCCCC(O)NCCN(C)C
InChIInChI=1S/C11H26N2O/c1-4-5-6-7-8-11(14)12-9-10-13(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyBEROPHSYTZOVHL-UHFFFAOYSA-N
XLogP1.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
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

1-(pentylamino)dodecan-1-ol
CID 88518034
1-(hexadecylamino)docosan-1-ol
CID 88518088
1-(octylamino)dodecan-1-ol
CID 88518081
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025
1-(propylamino)nonan-1-ol
CID 88518015
1-(propylamino)dodecan-1-ol
CID 88518023
N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
CID 23468012
1-(3-hydroxypropylamino)octan-1-ol
CID 57106869
1-(3-hydroxypropylamino)decan-1-ol
CID 57171427
1-(ethylamino)tetradecan-1-ol
CID 88518024
2-[2-(dimethylamino)ethylamino]nonanamide
CID 60995912

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylamino]heptan-1-ol?
The IUPAC name of 1-[2-(dimethylamino)ethylamino]heptan-1-ol (CID 147069081) is 1-[2-(dimethylamino)ethylamino]heptan-1-ol.
What is the SMILES notation for 1-[2-(dimethylamino)ethylamino]heptan-1-ol?
The canonical SMILES for 1-[2-(dimethylamino)ethylamino]heptan-1-ol is CCCCCCC(O)NCCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethylamino]heptan-1-ol?
The InChIKey is BEROPHSYTZOVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-4-5-6-7-8-11(14)12-9-10-13(2)3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethylamino]heptan-1-ol?
1-[2-(dimethylamino)ethylamino]heptan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 1.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylamino]heptan-1-ol is sourced from PubChem (CID 147069081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).