3-(diethylamino)-3,7-dimethyloct-7-en-4-ol

C14H29NO — CID 114473935

IUPAC3-(diethylamino)-3,7-dimethyloct-7-en-4-ol
SMILESC=C(C)CCC(O)C(C)(CC)N(CC)CC
InChIInChI=1S/C14H29NO/c1-7-14(6,15(8-2)9-3)13(16)11-10-12(4)5/h13,16H,4,7-11H2,1-3,5-6H3
InChIKeyKRNVDMMWDGMFJL-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.21
Rot. Bonds8

About 3-(diethylamino)-3,7-dimethyloct-7-en-4-ol

3-(diethylamino)-3,7-dimethyloct-7-en-4-ol (PubChem CID 114473935) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-(diethylamino)-3,7-dimethyloct-7-en-4-ol.

Molecular Properties

Compound Name3-(diethylamino)-3,7-dimethyloct-7-en-4-ol
PubChem CID114473935
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-(diethylamino)-3,7-dimethyloct-7-en-4-ol
SMILESC=C(C)CCC(O)C(C)(CC)N(CC)CC
InChIInChI=1S/C14H29NO/c1-7-14(6,15(8-2)9-3)13(16)11-10-12(4)5/h13,16H,4,7-11H2,1-3,5-6H3
InChIKeyKRNVDMMWDGMFJL-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(diethylamino)-3,7,7-trimethyloctan-4-ol
CID 79062806
3-(diethylamino)-3-methylundecan-4-ol
CID 79064620
3-(diethylamino)-3,6-dimethylnonan-4-ol
CID 79063814
2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine
CID 114475156
3-(diethylamino)-3,5,7-trimethyloctan-4-ol
CID 114284841
3-(diethylamino)-3-methyl-1-propoxypentan-2-ol
CID 79567055
5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol
CID 79179346
4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 79064624
4-N,4-N-diethyl-2,4-dimethyl-3-N-propylhex-1-ene-3,4-diamine
CID 79178206
3-(diethylamino)-3-methyl-1-(4-methylphenyl)pentan-2-ol
CID 79062947
3-(diethylamino)-3-methyl-1-thiophen-2-ylpentan-2-ol
CID 79063568
3,3,7-trimethyloct-7-en-4-ylhydrazine
CID 105336008

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3,7-dimethyloct-7-en-4-ol?
The IUPAC name of 3-(diethylamino)-3,7-dimethyloct-7-en-4-ol (CID 114473935) is 3-(diethylamino)-3,7-dimethyloct-7-en-4-ol.
What is the SMILES notation for 3-(diethylamino)-3,7-dimethyloct-7-en-4-ol?
The canonical SMILES for 3-(diethylamino)-3,7-dimethyloct-7-en-4-ol is C=C(C)CCC(O)C(C)(CC)N(CC)CC.
What is the InChIKey of 3-(diethylamino)-3,7-dimethyloct-7-en-4-ol?
The InChIKey is KRNVDMMWDGMFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-7-14(6,15(8-2)9-3)13(16)11-10-12(4)5/h13,16H,4,7-11H2,1-3,5-6H3.
What are the key properties of 3-(diethylamino)-3,7-dimethyloct-7-en-4-ol?
3-(diethylamino)-3,7-dimethyloct-7-en-4-ol has a molecular weight of 227.39 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3,7-dimethyloct-7-en-4-ol is sourced from PubChem (CID 114473935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).