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

C17H35NO — CID 151436173

IUPACN,N-diethyl-1-methoxydodec-2-en-4-amine
SMILESCCCCCCCCC(C=CCOC)N(CC)CC
InChIInChI=1S/C17H35NO/c1-5-8-9-10-11-12-14-17(15-13-16-19-4)18(6-2)7-3/h13,15,17H,5-12,14,16H2,1-4H3
InChIKeyPDNVBFDMUDJYPQ-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.65
Rot. Bonds13

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

N,N-diethyl-1-methoxydodec-2-en-4-amine (PubChem CID 151436173) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N,N-diethyl-1-methoxydodec-2-en-4-amine.

Molecular Properties

Compound NameN,N-diethyl-1-methoxydodec-2-en-4-amine
PubChem CID151436173
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN,N-diethyl-1-methoxydodec-2-en-4-amine
SMILESCCCCCCCCC(C=CCOC)N(CC)CC
InChIInChI=1S/C17H35NO/c1-5-8-9-10-11-12-14-17(15-13-16-19-4)18(6-2)7-3/h13,15,17H,5-12,14,16H2,1-4H3
InChIKeyPDNVBFDMUDJYPQ-UHFFFAOYSA-N
XLogP4.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
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

2-(3-Methoxyprop-1-enyl)-1-methylpyrrolidine
CID 57853788
1-Ethyl-2-[5-[5-(1-ethylpiperidin-2-yl)pent-2-enoxy]pent-3-enyl]piperidine
CID 139707323
1-Ethyl-2-[7-[7-(1-ethylpiperidin-2-yl)hept-2-enoxy]hept-5-enyl]piperidine
CID 139707327
butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane
CID 142549968
ethane;(2E)-N-hexyl-5-methoxy-N-propylhepta-2,6-dien-1-amine
CID 142550037
(8Z)-4-ethyl-3-methyl-2,4,5,6,7,10-hexahydro-1,3-oxazecine
CID 144292412
1,1-diethoxy-N,N-diethyldodec-2-en-4-amine
CID 150556041
N,N-diethyl-1,1-dimethoxydodec-2-en-4-amine
CID 151410232
1,1-dimethoxy-N,N-dimethyldodec-2-en-4-amine
CID 152021483
1,1-diethoxy-N,N-dimethyldodec-2-en-4-amine
CID 152068192
(E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine
CID 154962067
1,1-dimethoxy-N,N-dimethyltridec-2-en-4-amine
CID 160133527

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methoxydodec-2-en-4-amine?
The IUPAC name of N,N-diethyl-1-methoxydodec-2-en-4-amine (CID 151436173) is N,N-diethyl-1-methoxydodec-2-en-4-amine.
What is the SMILES notation for N,N-diethyl-1-methoxydodec-2-en-4-amine?
The canonical SMILES for N,N-diethyl-1-methoxydodec-2-en-4-amine is CCCCCCCCC(C=CCOC)N(CC)CC.
What is the InChIKey of N,N-diethyl-1-methoxydodec-2-en-4-amine?
The InChIKey is PDNVBFDMUDJYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-8-9-10-11-12-14-17(15-13-16-19-4)18(6-2)7-3/h13,15,17H,5-12,14,16H2,1-4H3.
What are the key properties of N,N-diethyl-1-methoxydodec-2-en-4-amine?
N,N-diethyl-1-methoxydodec-2-en-4-amine has a molecular weight of 269.47 g/mol, XLogP of 4.65, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methoxydodec-2-en-4-amine is sourced from PubChem (CID 151436173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).