N,N-diethyl-1,1-dimethoxydodec-2-en-4-amine

C18H37NO2 — CID 151410232

IUPACN,N-diethyl-1,1-dimethoxydodec-2-en-4-amine
SMILESCCCCCCCCC(C=CC(OC)OC)N(CC)CC
InChIInChI=1S/C18H37NO2/c1-6-9-10-11-12-13-14-17(19(7-2)8-3)15-16-18(20-4)21-5/h15-18H,6-14H2,1-5H3
InChIKeyOYIYSLGBMKVVAK-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.62
Rot. Bonds14

About N,N-diethyl-1,1-dimethoxydodec-2-en-4-amine

N,N-diethyl-1,1-dimethoxydodec-2-en-4-amine (PubChem CID 151410232) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is N,N-diethyl-1,1-dimethoxydodec-2-en-4-amine.

Molecular Properties

Compound NameN,N-diethyl-1,1-dimethoxydodec-2-en-4-amine
PubChem CID151410232
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC NameN,N-diethyl-1,1-dimethoxydodec-2-en-4-amine
SMILESCCCCCCCCC(C=CC(OC)OC)N(CC)CC
InChIInChI=1S/C18H37NO2/c1-6-9-10-11-12-13-14-17(19(7-2)8-3)15-16-18(20-4)21-5/h15-18H,6-14H2,1-5H3
InChIKeyOYIYSLGBMKVVAK-UHFFFAOYSA-N
XLogP4.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxy-N,N-diethyldodec-2-en-4-amine
CID 150556041
N,N-diethyl-1-methoxydodec-2-en-4-amine
CID 151436173
N,N-diethyl-1,1-dimethoxytridec-3-en-5-amine
CID 151655071
1,1-dimethoxy-N,N-dimethyldodec-2-en-4-amine
CID 152021483
1,1-diethoxy-N,N-dimethyldodec-2-en-4-amine
CID 152068192
1,1-diethoxy-N,N-dimethyltridec-3-en-5-amine
CID 152205505
1,1-dimethoxy-N,N-dimethyltridec-2-en-4-amine
CID 160133527
1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine
CID 172680926
1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine
CID 172686686

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1-dimethoxydodec-2-en-4-amine?
The IUPAC name of N,N-diethyl-1,1-dimethoxydodec-2-en-4-amine (CID 151410232) is N,N-diethyl-1,1-dimethoxydodec-2-en-4-amine.
What is the SMILES notation for N,N-diethyl-1,1-dimethoxydodec-2-en-4-amine?
The canonical SMILES for N,N-diethyl-1,1-dimethoxydodec-2-en-4-amine is CCCCCCCCC(C=CC(OC)OC)N(CC)CC.
What is the InChIKey of N,N-diethyl-1,1-dimethoxydodec-2-en-4-amine?
The InChIKey is OYIYSLGBMKVVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-6-9-10-11-12-13-14-17(19(7-2)8-3)15-16-18(20-4)21-5/h15-18H,6-14H2,1-5H3.
What are the key properties of N,N-diethyl-1,1-dimethoxydodec-2-en-4-amine?
N,N-diethyl-1,1-dimethoxydodec-2-en-4-amine has a molecular weight of 299.50 g/mol, XLogP of 4.62, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1-dimethoxydodec-2-en-4-amine is sourced from PubChem (CID 151410232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).