N-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine

C14H24N2O — CID 129045993

IUPACN-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
SMILESC=C(C)OC1C=CC=C(N(C)CCNCC)C1
InChIInChI=1S/C14H24N2O/c1-5-15-9-10-16(4)13-7-6-8-14(11-13)17-12(2)3/h6-8,14-15H,2,5,9-11H2,1,3-4H3
InChIKeyNJHXTRUQQXSSGR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.29
Rot. Bonds7

About N-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine

N-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine (PubChem CID 129045993) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
PubChem CID129045993
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
SMILESC=C(C)OC1C=CC=C(N(C)CCNCC)C1
InChIInChI=1S/C14H24N2O/c1-5-15-9-10-16(4)13-7-6-8-14(11-13)17-12(2)3/h6-8,14-15H,2,5,9-11H2,1,3-4H3
InChIKeyNJHXTRUQQXSSGR-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-Fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine
CID 175756650
4-propyl-3,5-dihydro-2H-furo[3,2-b]pyridin-6-amine
CID 19047176
1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
CID 67011254
1-(3-Methoxycyclohexa-1,5-dien-1-yl)piperazine
CID 70289090
1-(2-Ethoxycyclohexa-1,3-dien-1-yl)piperazine
CID 70790710
(4R)-4-[4-(methylamino)butan-2-yloxy]cyclohexa-1,5-dien-1-amine
CID 89474041
N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 130281454
N'-cyclohexa-1,3-dien-1-yl-N,N'-dimethylethane-1,2-diamine;ethane;N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N'-dimethylethane-1,2-diamine
CID 142389273
N'-cyclohexa-1,3-dien-1-yl-N,N,N'-trimethylethane-1,2-diamine;ethane;N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N,N'-trimethylethane-1,2-diamine
CID 142409694
4-[2-(diethylamino)ethoxy]-N-methylcyclohexa-1,5-dien-1-amine
CID 143098757
6-(2,3-Dihydroazepin-1-yl)-3-methoxycyclohexa-1,5-dien-1-amine;ethane
CID 144114451
4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methylcyclohexa-1,3-diene-1,4-diamine
CID 144631176

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine (CID 129045993) is N-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine is C=C(C)OC1C=CC=C(N(C)CCNCC)C1.
What is the InChIKey of N-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
The InChIKey is NJHXTRUQQXSSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-15-9-10-16(4)13-7-6-8-14(11-13)17-12(2)3/h6-8,14-15H,2,5,9-11H2,1,3-4H3.
What are the key properties of N-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine?
N-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 129045993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).