2-(diethylaminomethyl)non-1-en-4-ol

C14H29NO — CID 10082471

IUPAC2-(diethylaminomethyl)non-1-en-4-ol
SMILESC=C(CC(O)CCCCC)CN(CC)CC
InChIInChI=1S/C14H29NO/c1-5-8-9-10-14(16)11-13(4)12-15(6-2)7-3/h14,16H,4-12H2,1-3H3
InChIKeyGPFAYCMELKYQKO-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds10

About 2-(diethylaminomethyl)non-1-en-4-ol

2-(diethylaminomethyl)non-1-en-4-ol (PubChem CID 10082471) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(diethylaminomethyl)non-1-en-4-ol.

Molecular Properties

Compound Name2-(diethylaminomethyl)non-1-en-4-ol
PubChem CID10082471
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(diethylaminomethyl)non-1-en-4-ol
SMILESC=C(CC(O)CCCCC)CN(CC)CC
InChIInChI=1S/C14H29NO/c1-5-8-9-10-14(16)11-13(4)12-15(6-2)7-3/h14,16H,4-12H2,1-3H3
InChIKeyGPFAYCMELKYQKO-UHFFFAOYSA-N
XLogP3.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 90766690
4-[2-(Diethylamino)ethyl]cyclohex-3-en-1-ol
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Tributyl-(6-hydroxy-7-methyloct-7-enyl)azanium
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4-[Bis(8-methylnon-8-enyl)amino]butan-1-ol
CID 167036797
(3R)-1-methyl-5-propyl-2,3,4,7-tetrahydroazepin-3-ol
CID 168224685
1-[Dodecyl(4-methylpent-4-enyl)amino]dodecan-2-ol
CID 177164345
1-(Diethylamino)-5-methylideneheptan-3-ol
CID 79087072
1-(Dimethylamino)-4-methylidenehexan-2-ol
CID 79087101
1-(Diethylamino)-5-methylhex-5-en-3-ol
CID 79178036
(2R)-4-methyl-1-[(2S)-1-methylpiperidin-2-yl]pent-4-en-2-ol
CID 102286866
1-(Diethylamino)-6-methylhept-6-en-3-ol
CID 114473950
1-(Dimethylamino)-6-methylhept-6-en-3-ol
CID 114474002

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)non-1-en-4-ol?
The IUPAC name of 2-(diethylaminomethyl)non-1-en-4-ol (CID 10082471) is 2-(diethylaminomethyl)non-1-en-4-ol.
What is the SMILES notation for 2-(diethylaminomethyl)non-1-en-4-ol?
The canonical SMILES for 2-(diethylaminomethyl)non-1-en-4-ol is C=C(CC(O)CCCCC)CN(CC)CC.
What is the InChIKey of 2-(diethylaminomethyl)non-1-en-4-ol?
The InChIKey is GPFAYCMELKYQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-8-9-10-14(16)11-13(4)12-15(6-2)7-3/h14,16H,4-12H2,1-3H3.
What are the key properties of 2-(diethylaminomethyl)non-1-en-4-ol?
2-(diethylaminomethyl)non-1-en-4-ol has a molecular weight of 227.39 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)non-1-en-4-ol is sourced from PubChem (CID 10082471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).