7-(diethylamino)-3-ethylheptan-1-ol

C13H29NO — CID 144711867

IUPAC7-(diethylamino)-3-ethylheptan-1-ol
SMILESCCC(CCO)CCCCN(CC)CC
InChIInChI=1S/C13H29NO/c1-4-13(10-12-15)9-7-8-11-14(5-2)6-3/h13,15H,4-12H2,1-3H3
InChIKeyKCYKAJZCZUIVSV-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.91
Rot. Bonds10

About 7-(diethylamino)-3-ethylheptan-1-ol

7-(diethylamino)-3-ethylheptan-1-ol (PubChem CID 144711867) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 7-(diethylamino)-3-ethylheptan-1-ol.

Molecular Properties

Compound Name7-(diethylamino)-3-ethylheptan-1-ol
PubChem CID144711867
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name7-(diethylamino)-3-ethylheptan-1-ol
SMILESCCC(CCO)CCCCN(CC)CC
InChIInChI=1S/C13H29NO/c1-4-13(10-12-15)9-7-8-11-14(5-2)6-3/h13,15H,4-12H2,1-3H3
InChIKeyKCYKAJZCZUIVSV-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-6-(diethylamino)-3-ethylhexan-1-ol
CID 118889911
3-[3-(diethylamino)propyl]pentadecan-1-ol
CID 118181955
(5R)-N,N,5-triethyl-7-methoxyheptan-1-amine
CID 118890299
(2S)-7-(diethylamino)-2-propylheptan-1-ol
CID 118889803
(3R)-3-ethyl-6-[ethyl(methyl)amino]hexan-1-ol
CID 118890243
(3S)-3-ethyloctane-1,8-diol
CID 118889766
(3R)-3-ethylhexane-1,6-diol
CID 118889856
N',N',2-triethyl-N-methylpentane-1,5-diamine
CID 142375045
6-(diethylamino)hexane-1,2-diol
CID 18995566
3,6-diethylnonane-1,9-diol
CID 19787583
N'-[3-(diethylamino)propyl]-N',3-diethylhexane-1,6-diamine
CID 102994441
azane;3-ethylhenicosan-1-ol
CID 174815540

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-ethylheptan-1-ol?
The IUPAC name of 7-(diethylamino)-3-ethylheptan-1-ol (CID 144711867) is 7-(diethylamino)-3-ethylheptan-1-ol.
What is the SMILES notation for 7-(diethylamino)-3-ethylheptan-1-ol?
The canonical SMILES for 7-(diethylamino)-3-ethylheptan-1-ol is CCC(CCO)CCCCN(CC)CC.
What is the InChIKey of 7-(diethylamino)-3-ethylheptan-1-ol?
The InChIKey is KCYKAJZCZUIVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-13(10-12-15)9-7-8-11-14(5-2)6-3/h13,15H,4-12H2,1-3H3.
What are the key properties of 7-(diethylamino)-3-ethylheptan-1-ol?
7-(diethylamino)-3-ethylheptan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-ethylheptan-1-ol is sourced from PubChem (CID 144711867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).