3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol

C14H32N2O — CID 102996274

IUPAC3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol
SMILESCCCC(O)C(CC)N(CC)CCCN(C)C
InChIInChI=1S/C14H32N2O/c1-6-10-14(17)13(7-2)16(8-3)12-9-11-15(4)5/h13-14,17H,6-12H2,1-5H3
InChIKeyOTQRQTMGZSZGMV-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.20
Rot. Bonds10

About 3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol

3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol (PubChem CID 102996274) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol
PubChem CID102996274
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol
SMILESCCCC(O)C(CC)N(CC)CCCN(C)C
InChIInChI=1S/C14H32N2O/c1-6-10-14(17)13(7-2)16(8-3)12-9-11-15(4)5/h13-14,17H,6-12H2,1-5H3
InChIKeyOTQRQTMGZSZGMV-UHFFFAOYSA-N
XLogP2.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate
CID 102994723
N'-ethyl-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 59289592
1-[ethyl(3-hydroxypropyl)amino]butan-1-ol
CID 90465206
1-(dibutylamino)butan-1-ol
CID 19802147
2-[3-(dimethylamino)propyl-ethylamino]propanoic acid
CID 102994663
3-[3-(dimethylamino)propyl-ethylamino]pentanethioamide
CID 102993455
4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol
CID 102999085
2-[3-(dimethylamino)propyl-ethylamino]propanenitrile
CID 102993262
chlorocopper;methanetriol;bis(N,N,N',N'-tetramethylpropane-1,3-diamine)
CID 5255455
2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol
CID 87398959
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 102997823
3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 91045887

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol?
The IUPAC name of 3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol (CID 102996274) is 3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol?
The canonical SMILES for 3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol is CCCC(O)C(CC)N(CC)CCCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol?
The InChIKey is OTQRQTMGZSZGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-6-10-14(17)13(7-2)16(8-3)12-9-11-15(4)5/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol?
3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol has a molecular weight of 244.42 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-ethylamino]heptan-4-ol is sourced from PubChem (CID 102996274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).