N'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine

C16H30N2O — CID 156866586

IUPACN'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine
SMILESCCC1=CC=C(N(C)CCN(C)CCCOC)CC1
InChIInChI=1S/C16H30N2O/c1-5-15-7-9-16(10-8-15)18(3)13-12-17(2)11-6-14-19-4/h7,9H,5-6,8,10-14H2,1-4H3
InChIKeyIVMZTXNNQTVLEC-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.90
Rot. Bonds9

About N'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine

N'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 156866586) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID156866586
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine
SMILESCCC1=CC=C(N(C)CCN(C)CCCOC)CC1
InChIInChI=1S/C16H30N2O/c1-5-15-7-9-16(10-8-15)18(3)13-12-17(2)11-6-14-19-4/h7,9H,5-6,8,10-14H2,1-4H3
InChIKeyIVMZTXNNQTVLEC-UHFFFAOYSA-N
XLogP2.90
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-3-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]propan-1-ol
CID 177162163
ethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine
CID 142345469
Ethane;3-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]propan-1-ol
CID 142390317
(3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine
CID 154947579
Ethane;3-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]propan-1-ol
CID 156720226
ethane;N'-(4-methoxy-2,3,3-trimethylbutan-2-yl)-N,N'-dimethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
CID 156866554
ethane;N'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine
CID 156866585
N'-cyclohexa-1,3-dien-1-yl-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine
CID 168197008
ethane;N-(3-methoxypropyl)-N,N'-dimethyl-N'-[(2E,4Z)-5-methylhepta-2,4-dien-2-yl]ethane-1,2-diamine
CID 171071699
Ethane;2-fluoro-3-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]propan-1-ol
CID 177162162
Ethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol
CID 177162587
4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine
CID 142345470

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine (CID 156866586) is N'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine is CCC1=CC=C(N(C)CCN(C)CCCOC)CC1.
What is the InChIKey of N'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is IVMZTXNNQTVLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-15-7-9-16(10-8-15)18(3)13-12-17(2)11-6-14-19-4/h7,9H,5-6,8,10-14H2,1-4H3.
What are the key properties of N'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine?
N'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylcyclohexa-1,3-dien-1-yl)-N-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 156866586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).